(1R)-1-(5-fluoranyl-2-methoxy-phenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: (1R)-1-(5-fluoranyl-2-methoxy-phenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: (1R)-1-(5-fluoro-2-methoxy-phenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: (1R)-1-(5-fluoro-2-methoxy-phenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Formula: C22H30FN2O4S+ MolecularWeight: 437.548003

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(C3=C(C=CC(=C3)F)OC)O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@@H](C3=C(C=CC(=C3)F)OC)O

InChI

InChI=1S/C22H29FN2O4S/c1-3-4-17-5-8-19(9-6-17)30(27,28)25-13-11-24(12-14-25)16-21(26)20-15-18(23)7-10-22(20)29-2/h5-10,15,21,26H,3-4,11-14,16H2,1-2H3/p+1/t21-/m0/s1