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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C[NH+]2CCCC(C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

COC1=CC=CC(=C1C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H24ClN3O2/c1-28-21-6-2-5-20(27)19(21)14-26-11-3-4-16(13-26)22-18(12-24-25-22)15-7-9-17(23)10-8-15/h2,5-10,12,16,27H,3-4,11,13-14H2,1H3,(H,24,25)/p+1/t16-/m0/s1