(2S)-N-(5-chloranylpyridin-2-yl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-chloranylpyridin-2-yl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-chloro-2-pyridyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-chloropyridin-2-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(5-chloro-2-pyridyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C17H20ClN4O2S+ MolecularWeight: 379.8843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O2S/c1-12(16(23)20-15-5-4-13(18)11-19-15)21-6-8-22(9-7-21)17(24)14-3-2-10-25-14/h2-5,10-12H,6-9H2,1H3,(H,19,20,23)/p+1/t12-/m0/s1