2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(5-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C22H23FN3O2S+ MolecularWeight: 412.500323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C22H22FN3O2S/c1-15-2-5-18(6-3-15)24-21(27)14-25-8-10-26(11-9-25)22(28)20-13-16-12-17(23)4-7-19(16)29-20/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)/p+1