(2S)-N-(4-methylphenyl)-2-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-2-phenyl-N-(p-tolyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2S)-N-(4-methylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2S)-2-phenyl-N-(p-tolyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2S/c1-18-9-11-20(12-10-18)25-23(28)22(19-6-3-2-4-7-19)26-13-15-27(16-14-26)24(29)21-8-5-17-30-21/h2-12,17,22H,13-16H2,1H3,(H,25,28)/p+1/t22-/m0/s1