2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-[3-(2-methoxyphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-[3-(2-methoxyphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[3-(2-methoxybenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[3-[(2-methoxyphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[3-(2-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(3-o-anisoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C26H32N3O4S+ MolecularWeight: 482.61498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

COC1=CC=CC=C1C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C26H31N3O4S/c1-33-20-8-4-2-6-18(20)24(31)23-19-7-3-5-9-21(19)34-25(23)27-22(30)16-28-12-14-29(15-13-28)26(32)17-10-11-17/h2,4,6,8,17H,3,5,7,9-16H2,1H3,(H,27,30)/p+1