[3-ethoxy-4-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-(2-hydroxyethyl)azanium

Systemtic Name: [3-ethoxy-4-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-(2-hydroxyethyl)azanium Openeye Name: [3-ethoxy-4-[2-(4-ethoxycarbonylanilino)-2-oxo-ethoxy]phenyl]methyl-(2-hydroxyethyl)ammonium CAS Name: [3-ethoxy-4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [3-ethoxy-4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]methyl-(2-hydroxyethyl)azanium Traditional Name: [4-[2-(4-carbethoxyanilino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(2-hydroxyethyl)ammonium Formula: C22H29N2O6+ MolecularWeight: 417.47546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCO)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCO)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H28N2O6/c1-3-28-20-13-16(14-23-11-12-25)5-10-19(20)30-15-21(26)24-18-8-6-17(7-9-18)22(27)29-4-2/h5-10,13,23,25H,3-4,11-12,14-15H2,1-2H3,(H,24,26)/p+1