N-Benzylcinchoninium chloride, 98%

CAS
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CAS
69221-14-3
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Catalog Number

ACM69221143

Product Name

N-Benzylcinchoninium chloride, 98%

Structure

CAS

69221-14-3

Category

Heterocyclic Organic Compound

Synonyms

MFCD00082423; BCNC; N-Benzylcinchoninium chloride, purum, >=98.0% (AT); (2R,4S,5R)-1-benzyl-2-((S)-hydroxy(quinolin-4-yl)methyl)-5-vinyl-1-azoniabicyclo[2.2.2]octane chloride; N-Benzylcinchoninium Chloride [Chiral Phase-Transfer Catalyst]; 69221-14-3;

IUPAC Name

(S)-[(2R,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride;

Molecular Weight

420.981g/mol

Molecular Formula

C26H29ClN2O;

Canonical SMILES

C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.[Cl-];

InChI

InChI=1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25+,26-,28 ;/m0./s1;

InChI Key

FCHYSBWCOKEPNQ-YGNISETGSA-M;

Complexity

573

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

273-915-8

Exact Mass

420.197g/mol

H-Bond Acceptor

H-Bond Donor