2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCCC[NH+]3CCCCC3

InChI

InChI=1S/C24H31N3O2S/c1-19-10-12-20(13-11-19)26-23(28)18-30-22-9-4-3-8-21(22)24(29)25-14-7-17-27-15-5-2-6-16-27/h3-4,8-13H,2,5-7,14-18H2,1H3,(H,25,29)(H,26,28)/p+1