2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C20H16N3+ MolecularWeight: 298.36114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3=[NH+]C(=NN2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=[NH+]C(=NN2)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(23-22-19)16-11-5-2-6-12-16/h1-14,22H/p+1