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

Systemtic Name: [3-iodanyl-5-methoxy-4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-propyl-azanium Openeye Name: [3-iodo-5-methoxy-4-[2-(2-methylanilino)-2-oxo-ethoxy]phenyl]methyl-propyl-ammonium CAS Name: [3-iodo-5-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-propylammonium IUPAC Name: [3-iodo-5-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-propylazanium Traditional Name: [3-iodo-4-[2-keto-2-(o-toluidino)ethoxy]-5-methoxy-benzyl]-propyl-ammonium Formula: C20H26IN2O3+ MolecularWeight: 469.33651

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=CC(=C(C(=C1)I)OCC(=O)NC2=CC=CC=C2C)OC

Isomeric SMILES

CCC[NH2+]CC1=CC(=C(C(=C1)I)OCC(=O)NC2=CC=CC=C2C)OC

InChI

InChI=1S/C20H25IN2O3/c1-4-9-22-12-15-10-16(21)20(18(11-15)25-3)26-13-19(24)23-17-8-6-5-7-14(17)2/h5-8,10-11,22H,4,9,12-13H2,1-3H3,(H,23,24)/p+1