1-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]triazole-4-carboxylate CAS Name: 1-[2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]triazole-4-carboxylate Formula: C10H17N5O2 MolecularWeight: 239.27428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCN2C=C(N=N2)C(=O)[O-]

InChI

InChI=1S/C10H17N5O2/c1-13-2-4-14(5-3-13)6-7-15-8-9(10(16)17)11-12-15/h8H,2-7H2,1H3,(H,16,17)