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

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-chloranyl-4-nitro-phenyl)propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-chloro-4-nitro-phenyl)propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-(2-chloro-4-nitrophenyl)propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-chloro-4-nitrophenyl)propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-chloro-4-nitro-phenyl)propionamide Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)[NH+]2CCCCCCC2

InChI

InChI=1S/C16H22ClN3O3/c1-12(19-9-5-3-2-4-6-10-19)16(21)18-15-8-7-13(20(22)23)11-14(15)17/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,21)/p+1/t12-/m0/s1