(2S)-N-[2-(phenylcarbonyl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-(phenylcarbonyl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-benzoylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-benzoylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-benzoylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-benzoylphenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H25N3O3S/c1-18(27-13-15-28(16-14-27)25(31)22-12-7-17-32-22)24(30)26-21-11-6-5-10-20(21)23(29)19-8-3-2-4-9-19/h2-12,17-18H,13-16H2,1H3,(H,26,30)/p+1/t18-/m0/s1