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

Systemtic Name: ethyl (3R)-1-[3-[(2-methylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[3-(2-methylanilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[3-(2-methylanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-(2-methylanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[3-keto-3-(o-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=C2C

Isomeric SMILES

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

InChI

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