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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCCC(C3)CO)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC[C@@H](C3)CO)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-28-22-11-5-8-19(13-22)23-20(15-25-12-6-7-18(14-25)17-27)16-26(24-23)21-9-3-2-4-10-21/h2-5,8-11,13,16,18,27H,6-7,12,14-15,17H2,1H3/p+1/t18-/m0/s1