(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)azanium chloride

Systemtic Name: (7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)azanium chloride Openeye Name: (7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)ammonium chloride CAS Name: (7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)ammonium chloride IUPAC Name: (7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)azanium chloride Traditional Name: (7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)ammonium chloride Formula: C15H13Cl2N3O MolecularWeight: 322.18922

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)[NH3+].[Cl-]

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)[NH3+].[Cl-]

InChI

InChI=1S/C15H12ClN3O.ClH/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19(20)9-14(17)18-13;/h1-8H,9H2,(H2,17,18);1H