3-chloranyl-12,13-dimethoxy-6-(4-methylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide

Systemtic Name: 3-chloranyl-12,13-dimethoxy-6-(4-methylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide Openeye Name: 3-chloro-12,13-dimethoxy-6-(p-tolyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide CAS Name: 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide IUPAC Name: 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide Traditional Name: 3-chloro-12,13-dimethoxy-6-(p-tolyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide Formula: C26H24BrClN2O2 MolecularWeight: 511.83796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4=[N+](C2)CCC5=CC(=C(C=C54)OC)OC.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4=[N+](C2)CCC5=CC(=C(C=C54)OC)OC.[Br-]

InChI

InChI=1S/C26H24ClN2O2.BrH/c1-16-4-6-17(7-5-16)23-15-29-11-10-18-12-24(30-2)25(31-3)14-21(18)26(29)20-9-8-19(27)13-22(20)28-23;/h4-9,12-14H,10-11,15H2,1-3H3;1H/q+1;/p-1