N-(2,3-dimethylphenyl)-2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(5-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H25FN3O2S+ MolecularWeight: 426.526903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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