1-[(3R)-5-methyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: 1-[(3R)-5-methyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: 1-[(3R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one CAS Name: 1-[(3R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-3-(4-phenyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: 1-[(3R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: 1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-3-pyrazolin-1-yl]-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Formula: C18H24F3N4O2+ MolecularWeight: 385.40397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(N1)C(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)(C(F)(F)F)O

Isomeric SMILES

CC1=C[C@](N(N1)C(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)(C(F)(F)F)O

InChI

InChI=1S/C18H23F3N4O2/c1-14-13-17(27,18(19,20)21)25(22-14)16(26)7-8-23-9-11-24(12-10-23)15-5-3-2-4-6-15/h2-6,13,22,27H,7-12H2,1H3/p+1/t17-/m1/s1