(2S)-N-(2,4-dichlorophenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,4-dichlorophenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,4-dichlorophenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,4-dichlorophenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C18H20Cl2N3O2S+ MolecularWeight: 413.3413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)Cl)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H19Cl2N3O2S/c1-12(17(24)21-15-5-4-13(19)11-14(15)20)22-6-8-23(9-7-22)18(25)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,21,24)/p+1/t12-/m0/s1