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

Systemtic Name: 1-[[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]-2-pyrrolidone Formula: C27H39N4O+ MolecularWeight: 435.62476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC(CC4)CN5CCCC5=O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC(CC4)CN5CCCC5=O

InChI

InChI=1S/C27H38N4O/c1-29-19-25(20-30-16-13-21(14-17-30)18-31-15-5-8-26(31)32)27(28-29)24-11-9-23(10-12-24)22-6-3-2-4-7-22/h9-12,19,21-22H,2-8,13-18,20H2,1H3/p+1