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

Systemtic Name: 2,4-diphenyl-1H-1,5-benzodiazepin-5-ium Openeye Name: 2,4-diphenyl-1H-1,5-benzodiazepin-5-ium CAS Name: 2,4-diphenyl-1H-1,5-benzodiazepin-5-ium IUPAC Name: 2,4-diphenyl-1H-1,5-benzodiazepin-5-ium Traditional Name: 2,4-diphenyl-1H-1,5-benzodiazepin-5-ium Formula: C21H17N2+ MolecularWeight: 297.37308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[NH+]C3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[NH+]C3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2/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/h1-15,22H/p+1