7-chloranyl-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-ium chloride

Systemtic Name: 7-chloranyl-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-ium chloride Openeye Name: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-ium chloride CAS Name: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-ium chloride IUPAC Name: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-ium chloride Traditional Name: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-ium chloride Formula: C16H16Cl2N2 MolecularWeight: 307.21764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+]1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H15ClN2.ClH/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19;/h2-8,11H,9-10H2,1H3;1H