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

Systemtic Name: methyl 1-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H24ClN2O3+ MolecularWeight: 339.83706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C

InChI

InChI=1S/C17H23ClN2O3/c1-11-8-12(2)16(14(18)9-11)19-15(21)10-20-6-4-13(5-7-20)17(22)23-3/h8-9,13H,4-7,10H2,1-3H3,(H,19,21)/p+1