1-[2-(aminomethyl)-4,6-dimethyl-phenyl]-3-phenyl-1,2,3,4-tetrazol-1-ium-5-amine

Systemtic Name: 1-[2-(aminomethyl)-4,6-dimethyl-phenyl]-3-phenyl-1,2,3,4-tetrazol-1-ium-5-amine Openeye Name: 1-[2-(aminomethyl)-4,6-dimethyl-phenyl]-3-phenyl-tetrazol-1-ium-5-amine CAS Name: 1-[2-(aminomethyl)-4,6-dimethylphenyl]-3-phenyl-5-tetrazol-1-iumamine IUPAC Name: 1-[2-(aminomethyl)-4,6-dimethylphenyl]-3-phenyltetrazol-1-ium-5-amine Traditional Name: [1-[2-(aminomethyl)-4,6-dimethyl-phenyl]-3-phenyl-tetrazol-1-ium-5-yl]amine Formula: C16H19N6+ MolecularWeight: 295.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN)[N+]2=NN(N=C2N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CN)[N+]2=NN(N=C2N)C3=CC=CC=C3)C

InChI

InChI=1S/C16H19N6/c1-11-8-12(2)15(13(9-11)10-17)21-16(18)19-22(20-21)14-6-4-3-5-7-14/h3-9H,10,17H2,1-2H3,(H2,18,19,20)/q+1