2-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S/c1-16-6-8-18(9-7-16)23-21(26)15-24-10-12-25(13-11-24)22(27)20-14-17-4-2-3-5-19(17)28-20/h2-9,14H,10-13,15H2,1H3,(H,23,26)/p+1