ethyl (3S)-1-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-methylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-methylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(o-toluidino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C17H24N2O3/c1-3-22-17(21)14-8-6-10-19(11-14)12-16(20)18-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3,(H,18,20)/p+1/t14-/m0/s1