2-[4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H25FN3O2S+ MolecularWeight: 426.526903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(C=CC=C4S3)F)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(C=CC=C4S3)F)C

InChI

InChI=1S/C23H24FN3O2S/c1-15-6-8-17(9-7-15)25-20(28)14-26-10-12-27(13-11-26)23(29)22-16(2)21-18(24)4-3-5-19(21)30-22/h3-9H,10-14H2,1-2H3,(H,25,28)/p+1