methyl 1-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-ethyl-6-methyl-anilino)-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:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C

InChI

InChI=1S/C18H26N2O3/c1-4-14-7-5-6-13(2)17(14)19-16(21)12-20-10-8-15(9-11-20)18(22)23-3/h5-7,15H,4,8-12H2,1-3H3,(H,19,21)/p+1