[3-ethoxy-4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-phenethyl-azanium

Systemtic Name: [3-ethoxy-4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [3-ethoxy-4-[2-(2-methylanilino)-2-oxo-ethoxy]phenyl]methyl-phenethyl-ammonium CAS Name: [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-phenethylammonium IUPAC Name: [3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-phenethylazanium Traditional Name: [3-ethoxy-4-[2-keto-2-(o-toluidino)ethoxy]benzyl]-phenethyl-ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CC=C2)OCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CC=C2)OCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C26H30N2O3/c1-3-30-25-17-22(18-27-16-15-21-10-5-4-6-11-21)13-14-24(25)31-19-26(29)28-23-12-8-7-9-20(23)2/h4-14,17,27H,3,15-16,18-19H2,1-2H3,(H,28,29)/p+1