methyl 1-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(o-anisylamino)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:

COC1=CC=CC=C1CNC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H24N2O4/c1-22-15-6-4-3-5-14(15)11-18-16(20)12-19-9-7-13(8-10-19)17(21)23-2/h3-6,13H,7-12H2,1-2H3,(H,18,20)/p+1