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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(4-methoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-keto-2-(p-anisidino)ethyl]-methyl-ammonium Formula: C19H22BrN2O4+ MolecularWeight: 422.29298

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1Br)OCCO2)CC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1Br)OCCO2)CC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21BrN2O4/c1-22(12-19(23)21-14-3-5-15(24-2)6-4-14)11-13-9-17-18(10-16(13)20)26-8-7-25-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,23)/p+1