[3-ethoxy-5-iodanyl-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-ethoxy-5-iodanyl-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methyl]ammonium CAS Name: [3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl]azanium Traditional Name: benzyl-[3-ethoxy-5-iodo-4-[2-keto-2-(p-toluidino)ethoxy]benzyl]ammonium Formula: C25H28IN2O3+ MolecularWeight: 531.40589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)I)OCC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)I)OCC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C25H27IN2O3/c1-3-30-23-14-20(16-27-15-19-7-5-4-6-8-19)13-22(26)25(23)31-17-24(29)28-21-11-9-18(2)10-12-21/h4-14,27H,3,15-17H2,1-2H3,(H,28,29)/p+1