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

Systemtic Name: (3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-3-(methoxymethyl)piperidin-1-ium Openeye Name: (3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-3-(methoxymethyl)piperidin-1-ium CAS Name: (3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-3-(methoxymethyl)piperidin-1-ium IUPAC Name: (3S)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-3-(methoxymethyl)piperidin-1-ium Traditional Name: (3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-3-(methoxymethyl)piperidin-1-ium Formula: C24H36N3O+ MolecularWeight: 382.56214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCCC(C4)COC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC[C@@H](C4)COC

InChI

InChI=1S/C24H35N3O/c1-26-16-23(17-27-14-6-7-19(15-27)18-28-2)24(25-26)22-12-10-21(11-13-22)20-8-4-3-5-9-20/h10-13,16,19-20H,3-9,14-15,17-18H2,1-2H3/p+1/t19-/m0/s1