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

Systemtic Name: 1-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate Formula: C11H18N4O2 MolecularWeight: 238.28622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCN2C=C(N=N2)C(=O)[O-]

InChI

InChI=1S/C11H18N4O2/c1-9-3-2-4-14(7-9)5-6-15-8-10(11(16)17)12-13-15/h8-9H,2-7H2,1H3,(H,16,17)/t9-/m0/s1