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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(phenylthio)nicotinamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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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=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H23N3O2S/c26-21(18-10-6-12-23-22(18)28-17-8-2-1-3-9-17)24-16-19(20-11-7-15-27-20)25-13-4-5-14-25/h1-3,6-12,15,19H,4-5,13-14,16H2,(H,24,26)/p+1/t19-/m0/s1