2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O2S/c1-17(27)18-6-8-20(9-7-18)24-23(28)15-26-12-10-25(11-13-26)14-19-16-29-22-5-3-2-4-21(19)22/h2-9,16H,10-15H2,1H3,(H,24,28)/p+1