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

Systemtic Name: 1-(benzotriazol-1-ium-1-ylidene)-N'-(phenylmethyl)methanediamine Openeye Name: 1-(benzotriazol-1-ium-1-ylidene)-N'-benzyl-methanediamine CAS Name: 1-(1-benzotriazol-1-iumylidene)-N'-(phenylmethyl)methanediamine IUPAC Name: 1-(benzotriazol-1-ium-1-ylidene)-N'-benzylmethanediamine Traditional Name: [amino(benzotriazol-1-ium-1-ylidene)methyl]-benzyl-amine Formula: C14H14N5+ MolecularWeight: 252.29446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=[N+]2C3=CC=CC=C3N=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=[N+]2C3=CC=CC=C3N=N2)N

InChI

InChI=1S/C14H13N5/c15-14(16-10-11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)17-18-19/h1-9H,10H2,(H2,15,16)/p+1