(2S,4R)-1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-(3-chlorobenzyl)-N,N-dimethyl-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C19H23ClN3OS+ MolecularWeight: 376.92342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(C[NH+]1CC2=CC(=CC=C2)Cl)SC3=CC=CC=N3

Isomeric SMILES

CN(C)C(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC(=CC=C2)Cl)SC3=CC=CC=N3

InChI

InChI=1S/C19H22ClN3OS/c1-22(2)19(24)17-11-16(25-18-8-3-4-9-21-18)13-23(17)12-14-6-5-7-15(20)10-14/h3-10,16-17H,11-13H2,1-2H3/p+1/t16-,17+/m1/s1