1-(benzotriazol-1-ium-1-ylidene)-N'-(4-methylphenyl)-N-(phenylmethyl)methanediamine

Systemtic Name: 1-(benzotriazol-1-ium-1-ylidene)-N'-(4-methylphenyl)-N-(phenylmethyl)methanediamine Openeye Name: 1-(benzotriazol-1-ium-1-ylidene)-N-benzyl-N'-(p-tolyl)methanediamine CAS Name: 1-(1-benzotriazol-1-iumylidene)-N'-(4-methylphenyl)-N-(phenylmethyl)methanediamine IUPAC Name: 1-(benzotriazol-1-ium-1-ylidene)-N-benzyl-N'-(4-methylphenyl)methanediamine Traditional Name: [benzotriazol-1-ium-1-ylidene-(benzylamino)methyl]-(p-tolyl)amine Formula: C21H20N5+ MolecularWeight: 342.417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=[N+]2C3=CC=CC=C3N=N2)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=[N+]2C3=CC=CC=C3N=N2)NCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5/c1-16-11-13-18(14-12-16)23-21(22-15-17-7-3-2-4-8-17)26-20-10-6-5-9-19(20)24-25-26/h2-14H,15H2,1H3,(H,22,23)/p+1