(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-keto-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C19H21BrN2O3/c1-13-3-5-15(6-4-13)21-19(23)12-22(2)11-14-9-17-18(10-16(14)20)25-8-7-24-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,23)/p+1