(S)-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyridin-2-yl-methanol

Systemtic Name: (S)-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyridin-2-yl-methanol Openeye Name: (S)-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-(2-pyridyl)methanol CAS Name: (S)-[1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-(2-pyridinyl)methanol IUPAC Name: (S)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyridin-2-ylmethanol Traditional Name: (S)-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-(2-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=CC=CC=N5)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC(CC4)[C@@H](C5=CC=CC=N5)O

InChI

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