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

Systemtic Name: [1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-morpholin-4-yl-methanone Openeye Name: [1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-morpholino-methanone CAS Name: [1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-morpholin-4-ylmethanone Traditional Name: [1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-morpholino-methanone Formula: C27H39N4O2+ MolecularWeight: 451.62416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC(CC4)C(=O)N5CCOCC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C27H38N4O2/c1-29-19-25(20-30-13-11-24(12-14-30)27(32)31-15-17-33-18-16-31)26(28-29)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h7-10,19,21,24H,2-6,11-18,20H2,1H3/p+1