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

Systemtic Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Openeye Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium CAS Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-4-methoxypiperidin-1-ium IUPAC Name: 1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-4-methoxypiperidin-1-ium Traditional Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Formula: C23H34N3O+ MolecularWeight: 368.53556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O/c1-25-16-21(17-26-14-12-22(27-2)13-15-26)23(24-25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,16,18,22H,3-7,12-15,17H2,1-2H3/p+1