3-(9-chloranyl-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-dimethyl-azanium dichloride

Systemtic Name: 3-(9-chloranyl-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-dimethyl-azanium dichloride Openeye Name: 3-(9-chloro-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-dimethyl-ammonium dichloride CAS Name: 3-(9-chloro-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-dimethylammonium dichloride IUPAC Name: 3-(9-chloro-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-dimethylazanium dichloride Traditional Name: 3-(9-chloro-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-dimethyl-ammonium dichloride Formula: C18H24Cl3N3 MolecularWeight: 388.76226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+]1CC2=C(C=C(C=C2)Cl)NC3=CC=CC=C31.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCC[NH+]1CC2=C(C=C(C=C2)Cl)NC3=CC=CC=C31.[Cl-].[Cl-]

InChI

InChI=1S/C18H22ClN3.2ClH/c1-21(2)10-5-11-22-13-14-8-9-15(19)12-17(14)20-16-6-3-4-7-18(16)22;;/h3-4,6-9,12,20H,5,10-11,13H2,1-2H3;2*1H