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

Systemtic Name: [3-bromanyl-5-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-(2-methylpropyl)azanium Openeye Name: [3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methyl-isobutyl-ammonium CAS Name: [3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-methylpropyl)azanium Traditional Name: [3-bromo-4-[2-keto-2-(p-toluidino)ethoxy]-5-methoxy-benzyl]-isobutyl-ammonium Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2Br)C[NH2+]CC(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2Br)C[NH2+]CC(C)C)OC

InChI

InChI=1S/C21H27BrN2O3/c1-14(2)11-23-12-16-9-18(22)21(19(10-16)26-4)27-13-20(25)24-17-7-5-15(3)6-8-17/h5-10,14,23H,11-13H2,1-4H3,(H,24,25)/p+1