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

Systemtic Name: 2-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O2S/c1-2-17-7-3-5-9-19(17)24-22(27)16-25-11-13-26(14-12-25)23(28)21-15-18-8-4-6-10-20(18)29-21/h3-10,15H,2,11-14,16H2,1H3,(H,24,27)/p+1