2-(2-nitrophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-nitrophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-nitrophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(2-nitrophenyl)thio]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-nitrophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(2-nitrophenyl)thio]-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c24-20(15-27-19-10-4-3-9-18(19)23(25)26)21-13-16-7-1-2-8-17(16)14-22-11-5-6-12-22/h1-4,7-10H,5-6,11-15H2,(H,21,24)/p+1