2-[(3S)-3-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(3S)-3-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(3S)-3-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[(3S)-3-[(4-cyclohexyl-1-triazolyl)methyl]-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[(3S)-3-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[(3S)-3-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]acetate Formula: C16H26N4O2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CN(N=N2)CC3CCC[NH+](C3)CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CN(N=N2)C[C@H]3CCC[NH+](C3)CC(=O)[O-]

InChI

InChI=1S/C16H26N4O2/c21-16(22)12-19-8-4-5-13(9-19)10-20-11-15(17-18-20)14-6-2-1-3-7-14/h11,13-14H,1-10,12H2,(H,21,22)/t13-/m0/s1