[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-thiophen-2-yl-methanone

Systemtic Name: [2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-thiophen-2-yl-methanone Openeye Name: [2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-(2-thienyl)methanone CAS Name: [2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-thiophen-2-ylmethanone IUPAC Name: [2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-thiophen-2-ylmethanone Traditional Name: [2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]phenyl]-(2-thienyl)methanone Formula: C24H24FN2O3S+ MolecularWeight: 439.522363

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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=C3C(=O)C4=CC=CS4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4)F

InChI

InChI=1S/C24H23FN2O3S/c1-30-21-9-8-17(15-20(21)25)16-26-10-12-27(13-11-26)24(29)19-6-3-2-5-18(19)23(28)22-7-4-14-31-22/h2-9,14-15H,10-13,16H2,1H3/p+1