4-[[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]morpholine

Systemtic Name: 4-[[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]morpholine Openeye Name: 4-[[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]morpholine CAS Name: 4-[[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]methyl]morpholine IUPAC Name: 4-[[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]morpholine Traditional Name: 4-[[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]morpholine Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CN2CCOCC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1CN2CCOCC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H32N4O/c1-2-4-22(5-3-1)23-6-8-24(9-7-23)26-25(18-27-28-26)20-29-12-10-21(11-13-29)19-30-14-16-31-17-15-30/h1-9,18,21H,10-17,19-20H2,(H,27,28)/p+1