3-[[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine

Systemtic Name: 3-[[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine Openeye Name: 3-[[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine CAS Name: 3-[[1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]oxymethyl]pyridine IUPAC Name: 3-[[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine Traditional Name: 3-[[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine 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)OCC5=CN=CC=C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC(CC4)OCC5=CN=CC=C5

InChI

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