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

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(phenylthio)nicotinamide Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C25H27N3O2S/c1-30-20-10-7-9-19(17-20)23(28-15-5-6-16-28)18-27-24(29)22-13-8-14-26-25(22)31-21-11-3-2-4-12-21/h2-4,7-14,17,23H,5-6,15-16,18H2,1H3,(H,27,29)/p+1/t23-/m0/s1