ethyl (3R)-1-[3-[(3-methylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[3-[(3-methylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[3-(3-methylanilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[3-(3-methylanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-(3-methylanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[3-keto-3-(m-toluidino)propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CCC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C18H26N2O3/c1-3-23-18(22)15-7-5-10-20(13-15)11-9-17(21)19-16-8-4-6-14(2)12-16/h4,6,8,12,15H,3,5,7,9-11,13H2,1-2H3,(H,19,21)/p+1/t15-/m1/s1