2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C19H30N3O2S+ MolecularWeight: 364.5254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C19H29N3O2S/c1-3-9-22-10-7-16(8-11-22)20-18(23)13-25-14-19(24)21-17-6-4-5-15(2)12-17/h4-6,12,16H,3,7-11,13-14H2,1-2H3,(H,20,23)(H,21,24)/p+1