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

Systemtic Name: (2S)-4-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]butan-2-ol Openeye Name: (2S)-4-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]butan-2-ol CAS Name: (2S)-4-[4-[(4-cyclohexyl-1-triazolyl)methyl]-1-piperidin-1-iumyl]-2-butanol IUPAC Name: (2S)-4-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]butan-2-ol Traditional Name: (2S)-4-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]butan-2-ol Formula: C18H33N4O+ MolecularWeight: 321.48082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC(CC1)CN2C=C(N=N2)C3CCCCC3)O

Isomeric SMILES

C[C@@H](CC[NH+]1CCC(CC1)CN2C=C(N=N2)C3CCCCC3)O

InChI

InChI=1S/C18H32N4O/c1-15(23)7-10-21-11-8-16(9-12-21)13-22-14-18(19-20-22)17-5-3-2-4-6-17/h14-17,23H,2-13H2,1H3/p+1/t15-/m0/s1