4-[1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine

Systemtic Name: 4-[1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Openeye Name: 4-[1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine CAS Name: 4-[1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]morpholine IUPAC Name: 4-[1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Traditional Name: 4-[1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Formula: C27H35N4O+ MolecularWeight: 431.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCC(CC4)N5CCOCC5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCC(CC4)N5CCOCC5

InChI

InChI=1S/C27H34N4O/c1-21-8-9-22(2)26(18-21)31-20-24(27(28-31)23-6-4-3-5-7-23)19-29-12-10-25(11-13-29)30-14-16-32-17-15-30/h3-9,18,20,25H,10-17,19H2,1-2H3/p+1