ethyl (3R)-1-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[3-(4-methylanilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[3-(4-methylanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-(4-methylanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[3-keto-3-(p-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=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-3-23-18(22)15-5-4-11-20(13-15)12-10-17(21)19-16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3,(H,19,21)/p+1/t15-/m1/s1