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

Systemtic Name: 4-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Openeye Name: 4-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine CAS Name: 4-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]morpholine IUPAC Name: 4-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Traditional Name: 4-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCOCC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2CCOCC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4O/c1-2-4-20(5-3-1)21-6-8-22(9-7-21)25-23(18-26-27-25)19-28-12-10-24(11-13-28)29-14-16-30-17-15-29/h1-9,18,24H,10-17,19H2,(H,26,27)/p+1