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

Systemtic Name: N-(2-ethylphenyl)-2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C23H29N3O2S/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/h3,5,7,9,15H,2,4,6,8,10-14,16H2,1H3,(H,24,27)/p+1