2-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C25H31FN3O3S+ MolecularWeight: 472.595343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)F

InChI

InChI=1S/C25H30FN3O3S/c1-32-22-9-8-19(16-21(22)26)17-27-12-14-29(15-13-27)25(31)20-6-2-3-7-23(20)33-18-24(30)28-10-4-5-11-28/h2-3,6-9,16H,4-5,10-15,17-18H2,1H3/p+1