N-(4-methylphenyl)-2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(p-tolyl)-2-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methylphenyl)-2-[4-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(p-tolyl)-2-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C22H27N3O2S/c1-16-6-8-17(9-7-16)23-21(26)14-24-10-12-25(13-11-24)22(27)19-15-28-20-5-3-2-4-18(19)20/h6-9,15H,2-5,10-14H2,1H3,(H,23,26)/p+1