N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(phenylthio)nicotinamide Formula: C24H26N3OS+ MolecularWeight: 404.54774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3OS/c28-23(21-14-9-15-25-24(21)29-20-12-5-2-6-13-20)26-18-22(27-16-7-8-17-27)19-10-3-1-4-11-19/h1-6,9-15,22H,7-8,16-18H2,(H,26,28)/p+1/t22-/m0/s1