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

Systemtic Name: 6-(4-bromophenyl)-3-chloranyl-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium Openeye Name: 6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium CAS Name: 6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium IUPAC Name: 6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium Traditional Name: 6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium Formula: C25H21BrClN2O2+ MolecularWeight: 496.80344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=C(C=C4)Cl)N=C(C3)C5=CC=C(C=C5)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=C(C=C4)Cl)N=C(C3)C5=CC=C(C=C5)Br)OC

InChI

InChI=1S/C25H21BrClN2O2/c1-30-23-11-16-9-10-29-14-22(15-3-5-17(26)6-4-15)28-21-12-18(27)7-8-19(21)25(29)20(16)13-24(23)31-2/h3-8,11-13H,9-10,14H2,1-2H3/q+1