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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium Traditional Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(2-ethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C20H23BrN2O3/c1-3-14-6-4-5-7-17(14)22-20(24)13-23(2)12-15-10-18-19(11-16(15)21)26-9-8-25-18/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,22,24)/p+1