2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-6-ethoxy-phenol

Systemtic Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-6-ethoxy-phenol Openeye Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-6-ethoxy-phenol CAS Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]-6-ethoxyphenol IUPAC Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-6-ethoxyphenol Traditional Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-6-ethoxy-phenol Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCCC(C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O2/c1-2-29-21-7-3-5-18(23(21)28)15-27-12-4-6-17(14-27)22-20(13-25-26-22)16-8-10-19(24)11-9-16/h3,5,7-11,13,17,28H,2,4,6,12,14-15H2,1H3,(H,25,26)/p+1/t17-/m0/s1