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

Systemtic Name: N-[[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]ethanamide Openeye Name: N-[[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]acetamide CAS Name: N-[[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]methyl]acetamide IUPAC Name: N-[[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]acetamide Traditional Name: N-[[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]methyl]acetamide Formula: C20H23N2O3S+ MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCS[N+]1(CCCC1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCS[N+]1(CCCC1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c1-16(23)21-15-26-22(13-5-8-20(22)24)14-17-9-11-19(12-10-17)25-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-15H2,1H3/p+1