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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O2/c1-15-5-3-10(4-6-15)16(2)7-8-17-9-11(12(18)19)13-14-17/h9-10H,3-8H2,1-2H3,(H,18,19)