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

Systemtic Name: (S)-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyridin-3-yl-methanol Openeye Name: (S)-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-(3-pyridyl)methanol CAS Name: (S)-[1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-(3-pyridinyl)methanol IUPAC Name: (S)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyridin-3-ylmethanol Traditional Name: (S)-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-(3-pyridyl)methanol Formula: C28H37N4O+ MolecularWeight: 445.61958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC(CC4)C(C5=CN=CC=C5)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC(CC4)[C@@H](C5=CN=CC=C5)O

InChI

InChI=1S/C28H36N4O/c1-31-19-26(20-32-16-13-24(14-17-32)28(33)25-8-5-15-29-18-25)27(30-31)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h5,8-12,15,18-19,21,24,28,33H,2-4,6-7,13-14,16-17,20H2,1H3/p+1/t28-/m0/s1