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

Systemtic Name: methyl 1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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-iumcarboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C17H25N2O4+ MolecularWeight: 321.3914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-12-4-5-15(22-2)14(10-12)18-16(20)11-19-8-6-13(7-9-19)17(21)23-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,20)/p+1