7-chloranyl-1-methyl-3-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine chloride

Systemtic Name: 7-chloranyl-1-methyl-3-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine chloride Openeye Name: 7-chloro-1-methyl-3-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine chloride CAS Name: 7-chloro-1-methyl-3-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine chloride IUPAC Name: 7-chloro-1-methyl-3-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine chloride Traditional Name: 7-chloro-1-methyl-3-(3-methyl-4-imidazolin-3-ium-1-yl)-5-phenyl-2,3-dihydro-1,4-benzodiazepine chloride Formula: C20H22Cl2N4 MolecularWeight: 389.32148

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CN(C=C1)C2CN(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

C[NH+]1CN(C=C1)C2CN(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C20H21ClN4.ClH/c1-23-10-11-25(14-23)19-13-24(2)18-9-8-16(21)12-17(18)20(22-19)15-6-4-3-5-7-15;/h3-12,19H,13-14H2,1-2H3;1H