2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol

Systemtic Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCCC(C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O2/c1-28-19-8-9-21(27)17(11-19)14-26-10-2-3-16(13-26)22-20(12-24-25-22)15-4-6-18(23)7-5-15/h4-9,11-12,16,27H,2-3,10,13-14H2,1H3,(H,24,25)/p+1/t16-/m0/s1