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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-(3-methoxyanilino)-2-oxo-ethyl]ammonium CAS Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]ammonium IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium Traditional Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-keto-2-(m-anisidino)ethyl]ammonium Formula: C20H24BrN2O4+ MolecularWeight: 436.31956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O4/c1-3-23(13-20(24)22-15-5-4-6-16(10-15)25-2)12-14-9-18-19(11-17(14)21)27-8-7-26-18/h4-6,9-11H,3,7-8,12-13H2,1-2H3,(H,22,24)/p+1