N-[[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]benzamide

Systemtic Name: N-[[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]benzamide Openeye Name: N-[[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]benzamide CAS Name: N-[[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]methyl]benzamide IUPAC Name: N-[[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]benzamide Traditional Name: N-[[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]methyl]benzamide Formula: C25H25N2O3S+ MolecularWeight: 433.5426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)SCNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)SCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S/c28-24-12-7-17-27(24,31-19-26-25(29)21-8-3-1-4-9-21)18-20-13-15-23(16-14-20)30-22-10-5-2-6-11-22/h1-6,8-11,13-16H,7,12,17-19H2/p+1