4-[[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]morpholin-4-ium Openeye Name: 4-[[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]morpholin-4-ium CAS Name: 4-[[1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]methyl]morpholin-4-ium IUPAC Name: 4-[[1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]morpholin-4-ium Traditional Name: 4-[[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]morpholin-4-ium Formula: C27H36N4O2+2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H34N4O2/c1-32-26-9-5-6-23(18-26)27-24(21-31(28-27)25-7-3-2-4-8-25)20-29-12-10-22(11-13-29)19-30-14-16-33-17-15-30/h2-9,18,21-22H,10-17,19-20H2,1H3/p+2