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

Systemtic Name: 4-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[(4-isobutyrylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C12H19N6O+ MolecularWeight: 263.31886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CN2C=NN=C2C#N

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CN2C=NN=C2C#N

InChI

InChI=1S/C12H18N6O/c1-10(2)12(19)17-5-3-16(4-6-17)9-18-8-14-15-11(18)7-13/h8,10H,3-6,9H2,1-2H3/p+1