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

Systemtic Name: (2S)-N-(2-chloranyl-5-nitro-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-chloro-5-nitro-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-chloro-5-nitrophenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-chloro-5-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-chloro-5-nitro-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C18H21ClN5O3+ MolecularWeight: 390.84404

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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)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C18H20ClN5O3/c1-13(18(25)21-16-12-14(24(26)27)5-6-15(16)19)22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12-13H,8-11H2,1H3,(H,21,25)/p+1/t13-/m0/s1