(2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O3S/c1-18-10-11-21(31-2)20(17-18)26-24(29)23(19-7-4-3-5-8-19)27-12-14-28(15-13-27)25(30)22-9-6-16-32-22/h3-11,16-17,23H,12-15H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1