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

Systemtic Name: [5-bromanyl-2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-(3-oxidanylpropyl)azanium Openeye Name: [5-bromo-2-[2-(2-methylanilino)-2-oxo-ethoxy]phenyl]methyl-(3-hydroxypropyl)ammonium CAS Name: [5-bromo-2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(3-hydroxypropyl)ammonium IUPAC Name: [5-bromo-2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(3-hydroxypropyl)azanium Traditional Name: [5-bromo-2-[2-keto-2-(o-toluidino)ethoxy]benzyl]-(3-hydroxypropyl)ammonium Formula: C19H24BrN2O3+ MolecularWeight: 408.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)C[NH2+]CCCO

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)C[NH2+]CCCO

InChI

InChI=1S/C19H23BrN2O3/c1-14-5-2-3-6-17(14)22-19(24)13-25-18-8-7-16(20)11-15(18)12-21-9-4-10-23/h2-3,5-8,11,21,23H,4,9-10,12-13H2,1H3,(H,22,24)/p+1