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

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(3-methylbenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(3-methylbenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H23FN3O2S+ MolecularWeight: 412.500323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

InChI

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