2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 5-phenyl-2-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 5-phenyl-2-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C21H18N3+ MolecularWeight: 312.38772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=[NH+]2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=[NH+]2)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3/c1-15-11-13-17(14-12-15)21-22-19-10-6-5-9-18(19)20(23-24-21)16-7-3-2-4-8-16/h2-14,23H,1H3/p+1