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

Systemtic Name: 1-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]triazole-4-carboxylate CAS Name: 1-[2-(4-ethyl-1-piperazin-4-iumyl)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]triazole-4-carboxylate Formula: C11H19N5O2 MolecularWeight: 253.30086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N5O2/c1-2-14-3-5-15(6-4-14)7-8-16-9-10(11(17)18)12-13-16/h9H,2-8H2,1H3,(H,17,18)