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

Systemtic Name: N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(phenylthio)nicotinamide Formula: C23H24N3OS+ MolecularWeight: 390.52116

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3OS/c27-22(21-12-7-14-24-23(21)28-20-10-5-2-6-11-20)25-19-13-15-26(17-19)16-18-8-3-1-4-9-18/h1-12,14,19H,13,15-17H2,(H,25,27)/p+1/t19-/m1/s1