[3-iodanyl-5-methoxy-4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-(2-methylpropyl)azanium

Systemtic Name: [3-iodanyl-5-methoxy-4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-(2-methylpropyl)azanium Openeye Name: [3-iodo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxo-ethoxy]phenyl]methyl-isobutyl-ammonium CAS Name: [3-iodo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [3-iodo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methyl-(2-methylpropyl)azanium Traditional Name: [3-iodo-4-[2-keto-2-(o-anisidino)ethoxy]-5-methoxy-benzyl]-isobutyl-ammonium Formula: C21H28IN2O4+ MolecularWeight: 499.36249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC1=CC(=C(C(=C1)I)OCC(=O)NC2=CC=CC=C2OC)OC

Isomeric SMILES

CC(C)C[NH2+]CC1=CC(=C(C(=C1)I)OCC(=O)NC2=CC=CC=C2OC)OC

InChI

InChI=1S/C21H27IN2O4/c1-14(2)11-23-12-15-9-16(22)21(19(10-15)27-4)28-13-20(25)24-17-7-5-6-8-18(17)26-3/h5-10,14,23H,11-13H2,1-4H3,(H,24,25)/p+1