1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]piperidin-1-ium-4-carboxylate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-11-3-4-14(22-2)13(9-11)17-15(19)10-18-7-5-12(6-8-18)16(20)21/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,19)(H,20,21)