(3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCCC(C4)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC[C@@H](C4)O

InChI

InChI=1S/C22H31N3O/c1-24-14-20(15-25-13-5-8-21(26)16-25)22(23-24)19-11-9-18(10-12-19)17-6-3-2-4-7-17/h9-12,14,17,21,26H,2-8,13,15-16H2,1H3/p+1/t21-/m0/s1