[(4As,8as)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl]benzoate chloride

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Catalog Number
ACM63916734
Product Name
[(4As,8as)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl]benzoate chloride
CAS
63916-73-4
Category
Heterocyclic Organic Compound
Synonyms
CID45232, LS-36703, cis-Decahydro-2-methylisoquinolin-8-yl benzoate hydrochloride, cis-Decahydro-8-benzoyloxy-2-methylisoquinoline hydrochloride, Isoquinoline, decahydro-8-benzoyloxy-2-methyl-, hydrochloride, (Z)-, BENZOIC ACID, DECAHYDRO-2-METHYLISOQUINOLIN-8-YL ESTER, HYDROCHLORIDE, (Z)-, 63916-73-4
IUPAC Name
[(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride
Molecular Weight
309.831 g/mol
Molecular Formula
C17H24ClNO2
Canonical SMILES
C[NH+]1CCC2CCCC(C2C1)OC(=O)C3=CC=CC=C3.[Cl-]
InChI Key
YSHZIKZWOGLLFO-RDXSVFNDSA-N
Exact Mass
309.15000
H-Bond Acceptor
3
H-Bond Donor
1
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