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

Systemtic Name: 1-[2-(4-propylpiperazin-4-ium-1-yl)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(4-propylpiperazin-4-ium-1-yl)ethyl]triazole-4-carboxylate CAS Name: 1-[2-(4-propyl-1-piperazin-4-iumyl)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(4-propylpiperazin-4-ium-1-yl)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(4-propylpiperazin-4-ium-1-yl)ethyl]triazole-4-carboxylate Formula: C12H21N5O2 MolecularWeight: 267.32744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O2/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-11(12(18)19)13-14-17/h10H,2-9H2,1H3,(H,18,19)