1-[2-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[2-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol Openeye Name: 1-[2-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol CAS Name: 1-[2-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methylamino]ethyl]-4-piperidin-1-iumol IUPAC Name: 1-[2-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol Traditional Name: 1-[2-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol Formula: C24H37N4O+ MolecularWeight: 397.57678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O/c1-27-18-22(17-25-13-16-28-14-11-23(29)12-15-28)24(26-27)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-10,18-19,23,25,29H,2-6,11-17H2,1H3/p+1