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

Systemtic Name: [1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC(CC3)CO)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC(CC3)CO)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-28-22-9-5-6-19(14-22)23-20(15-25-12-10-18(17-27)11-13-25)16-26(24-23)21-7-3-2-4-8-21/h2-9,14,16,18,27H,10-13,15,17H2,1H3/p+1