2-[[5-bromanyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-bromanyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[5-bromo-2-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[5-bromo-2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[5-bromo-2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[5-bromo-2-[2-keto-2-(p-toluidino)ethoxy]benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C20H28BrN3O2+2 MolecularWeight: 422.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Br)C[NH2+]CC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Br)C[NH2+]CC[NH+](C)C

InChI

InChI=1S/C20H26BrN3O2/c1-15-4-7-18(8-5-15)23-20(25)14-26-19-9-6-17(21)12-16(19)13-22-10-11-24(2)3/h4-9,12,22H,10-11,13-14H2,1-3H3,(H,23,25)/p+2