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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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