2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)-N-(2-thenyl)acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H27N3O3S/c1-28-19-8-6-18(7-9-19)25(15-20-3-2-14-29-20)21(26)16-23-10-12-24(13-11-23)22(27)17-4-5-17/h2-3,6-9,14,17H,4-5,10-13,15-16H2,1H3/p+1