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2-methoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]carbothioyl-phenolate
2-methoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]carbothioyl-phenolate
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Descriptors Computed from Structure
Canonical SMILES:
COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C3=CC=CC(=C3)C(F)(F)F)[O-]
Isomeric SMILES
COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C3=CC=CC(=C3)C(F)(F)F)[O-]
InChI
InChI=1S/C19H19F3N2O2S/c1-26-17-11-13(5-6-16(17)25)18(27)24-9-7-23(8-10-24)15-4-2-3-14(12-15)19(20,21)22/h2-6,11-12,25H,7-10H2,1H3
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