N-Methylsarpagine methosalt

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Catalog Number
ACM47418702
Product Name
N-Methylsarpagine methosalt
CAS
47418-70-2
Category
Heterocyclic Organic Compound
Synonyms
10,17-Dihydroxy-1,4-dimethylsarpaganium
Molecular Weight
339.5
InChI
InChI=1S/C21H26N2O2/c1-4-12-10-23(3)19-9-16-15-7-13(25)5-6-18(15)22(2)21(16)20(23)8-14(12)17(19)11-24/h4-7,14,17,19-20,24H,8-11H2,1-3H3/p+1/b12-4-/t14-,17+,19-,20-,23/m0/s1
InChI Key
JTTRGCDSKZRQPP-PRQFWUQUSA-O
Complexity
592
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Exact Mass
339.207253108
Heavy Atom Count
25
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
Isomeric SMILES
C/C=C\1/C[N+]2([C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3N(C5=C4C=C(C=C5)O)C)CO)C
Monoisotopic Mass
339.207253108
Physical State
Powder
Rotatable Bond Count
1
Topological Polar Surface Area
45.4 Ų
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