2-[(2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCCCC3CCO)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCCC[C@H]3CCO)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-29-23-12-7-8-19(16-23)24-20(17-26-14-6-5-9-21(26)13-15-28)18-27(25-24)22-10-3-2-4-11-22/h2-4,7-8,10-12,16,18,21,28H,5-6,9,13-15,17H2,1H3/p+1/t21-/m0/s1