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

Systemtic Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Formula: C15H19N6O+ MolecularWeight: 299.35096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C=NN=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C=NN=C3C#N

InChI

InChI=1S/C15H18N6O/c1-22-14-4-2-13(3-5-14)20-8-6-19(7-9-20)12-21-11-17-18-15(21)10-16/h2-5,11H,6-9,12H2,1H3/p+1