(2S)-N-(2-chloranyl-5-nitro-phenyl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-chloranyl-5-nitro-phenyl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-chloro-5-nitro-phenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-chloro-5-nitrophenyl)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-chloro-5-nitrophenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-chloro-5-nitro-phenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propionamide Formula: C17H22ClN4O4+ MolecularWeight: 381.83398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C17H21ClN4O4/c1-11(20-6-8-21(9-7-20)17(24)12-2-3-12)16(23)19-15-10-13(22(25)26)4-5-14(15)18/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,23)/p+1/t11-/m0/s1