methyl 1-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(4-isopropylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-cumidino-2-keto-ethyl)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

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