[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-benzyl-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-benzyl-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-benzyl-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Formula: C23H34N3O+ MolecularWeight: 368.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCCC(C3)(CC4=CC=CC=C4)CO

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCC[C@@](C3)(CC4=CC=CC=C4)CO

InChI

InChI=1S/C23H33N3O/c27-18-23(14-19-8-3-1-4-9-19)12-7-13-26(17-23)16-21-15-24-25-22(21)20-10-5-2-6-11-20/h1,3-4,8-9,15,20,27H,2,5-7,10-14,16-18H2,(H,24,25)/p+1/t23-/m0/s1