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

Systemtic Name: 3-chloranyl-12,13-dimethoxy-6-(4-methoxyphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide Openeye Name: 3-chloro-12,13-dimethoxy-6-(4-methoxyphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide CAS Name: 3-chloro-12,13-dimethoxy-6-(4-methoxyphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide IUPAC Name: 3-chloro-12,13-dimethoxy-6-(4-methoxyphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide Traditional Name: 3-chloro-12,13-dimethoxy-6-(4-methoxyphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide Formula: C26H24BrClN2O3 MolecularWeight: 527.83736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4=[N+](C2)CCC5=CC(=C(C=C54)OC)OC.[Br-]

Isomeric SMILES

COC1=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/C26H24ClN2O3.BrH/c1-30-19-7-4-16(5-8-19)23-15-29-11-10-17-12-24(31-2)25(32-3)14-21(17)26(29)20-9-6-18(27)13-22(20)28-23;/h4-9,12-14H,10-11,15H2,1-3H3;1H/q+1;/p-1