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

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[(2R)-2-(2-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=C1C(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/c1-30-23-14-6-5-12-20(23)22(28-16-7-8-17-28)18-27-24(29)21-13-9-15-26-25(21)31-19-10-3-2-4-11-19/h2-6,9-15,22H,7-8,16-18H2,1H3,(H,27,29)/p+1/t22-/m0/s1