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2-chloranyl-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide

2-chloranyl-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide

Systemtic Name:2-chloranyl-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide
Openeye Name:2-chloro-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide
CAS Name:2-chloro-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide
IUPAC Name:2-chloro-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide
Traditional Name:2-chloro-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide
Formula: C21H22BrClN2O3
MolecularWeight: 465.76798
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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(C=C(C=C2)Cl)C3=[N+]1CCC4=CC(=C(C=C43)OC)OC.[Br-]


Isomeric SMILES

CCC1C(=O)NC2=C(C=C(C=C2)Cl)C3=[N+]1CCC4=CC(=C(C=C43)OC)OC.[Br-]


InChI

InChI=1S/C21H21ClN2O3.BrH/c1-4-17-21(25)23-16-6-5-13(22)10-15(16)20-14-11-19(27-3)18(26-2)9-12(14)7-8-24(17)20;/h5-6,9-11,17H,4,7-8H2,1-3H3;1H


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