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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H27FN3O2S+ MolecularWeight: 440.553483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26FN3O2S/c1-15-6-4-8-19(16(15)2)26-21(29)14-27-10-12-28(13-11-27)24(30)23-17(3)22-18(25)7-5-9-20(22)31-23/h4-9H,10-14H2,1-3H3,(H,26,29)/p+1