2,4-diphenyl-3H-1,5-benzodiazepin-1-ium chloride

Systemtic Name: 2,4-diphenyl-3H-1,5-benzodiazepin-1-ium chloride Openeye Name: 2,4-diphenyl-3H-1,5-benzodiazepin-1-ium chloride CAS Name: 2,4-diphenyl-3H-1,5-benzodiazepin-1-ium chloride IUPAC Name: 2,4-diphenyl-3H-1,5-benzodiazepin-1-ium chloride Traditional Name: 2,4-diphenyl-3H-1,5-benzodiazepin-1-ium chloride Formula: C21H17ClN2 MolecularWeight: 332.82608

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=[NH+]C2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1C(=[NH+]C2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H16N2.ClH/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)22-20;/h1-14H,15H2;1H