2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-16(27)26-13-11-25(12-14-26)15-20(28)24-23-21(18-9-5-6-10-19(18)30-23)22(29)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,24,28)/p+1