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

Systemtic Name: [1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-(1-piperidyl)methanone CAS Name: [1-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-piperidino-methanone Formula: C28H35N4O2+ MolecularWeight: 459.6031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C(=O)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C(=O)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N4O2/c1-34-26-12-10-22(11-13-26)27-24(21-32(29-27)25-8-4-2-5-9-25)20-30-18-14-23(15-19-30)28(33)31-16-6-3-7-17-31/h2,4-5,8-13,21,23H,3,6-7,14-20H2,1H3/p+1