1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium

Systemtic Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Openeye Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium CAS Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium IUPAC Name: 1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Traditional Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Formula: C25H38N3O2+ MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O2/c1-27-18-23(19-28-14-12-24(13-15-28)30-17-16-29-2)25(26-27)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h8-11,18,20,24H,3-7,12-17,19H2,1-2H3/p+1