(2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: (2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-N-(1-isopropylpiperidin-1-ium-4-yl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: (2S)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(1-propan-2-yl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-N-(1-isopropylpiperidin-1-ium-4-yl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@@H](C)C(=O)NC2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C20H31N3O2S/c1-14(2)23-11-9-18(10-12-23)22-20(25)16(4)26-13-19(24)21-17-7-5-15(3)6-8-17/h5-8,14,16,18H,9-13H2,1-4H3,(H,21,24)(H,22,25)/p+1/t16-/m0/s1