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

Systemtic Name: [(3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-morpholin-4-yl-methanone Openeye Name: [(3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-morpholino-methanone CAS Name: [(3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-3-piperidin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [(3S)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-morpholin-4-ylmethanone Traditional Name: [(3S)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-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+]4CCCC(C4)C(=O)N5CCOCC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCC[C@@H](C4)C(=O)N5CCOCC5

InChI

InChI=1S/C27H38N4O2/c1-29-18-25(20-30-13-5-8-24(19-30)27(32)31-14-16-33-17-15-31)26(28-29)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h9-12,18,21,24H,2-8,13-17,19-20H2,1H3/p+1/t24-/m0/s1