4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Formula: C16H21N6+ MolecularWeight: 297.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C=NN=C3C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C=NN=C3C#N)C

InChI

InChI=1S/C16H20N6/c1-13-4-3-5-15(14(13)2)21-8-6-20(7-9-21)12-22-11-18-19-16(22)10-17/h3-5,11H,6-9,12H2,1-2H3/p+1