3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(4-benzhydrylpiperazin-4-ium-1-yl)-1H-1,2,4-triazol-5-yl]amine Formula: C19H23N6+ MolecularWeight: 335.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NNC(=N4)N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NNC(=N4)N

InChI

InChI=1S/C19H22N6/c20-18-21-19(23-22-18)25-13-11-24(12-14-25)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H3,20,21,22,23)/p+1