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

Systemtic Name: [1-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-diphenyl-methanolate Openeye Name: [1-[2-(4-ethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-diphenyl-methanolate CAS Name: [1-[2-(4-ethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-diphenylmethanolate IUPAC Name: [1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-diphenylmethanolate Traditional Name: [1-[2-keto-2-(p-phenetidino)ethyl]piperidin-1-ium-4-yl]-diphenyl-methanolate Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C28H31N2O3/c1-2-33-26-15-13-25(14-16-26)29-27(31)21-30-19-17-24(18-20-30)28(32,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,24H,2,17-21H2,1H3,(H,29,31)/q-1/p+1