[1-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-diphenyl-methanolate

Systemtic Name: [1-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-diphenyl-methanolate Openeye Name: [1-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-diphenyl-methanolate CAS Name: [1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-diphenylmethanolate IUPAC Name: [1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-diphenylmethanolate Traditional Name: [1-[2-(2,4-dimethoxyanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]-diphenyl-methanolate Formula: C28H32N2O4 MolecularWeight: 460.56468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-])OC

InChI

InChI=1S/C28H31N2O4/c1-33-24-13-14-25(26(19-24)34-2)29-27(31)20-30-17-15-23(16-18-30)28(32,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,23H,15-18,20H2,1-2H3,(H,29,31)/q-1/p+1