(2R)-2-(azocan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-(azocan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2R)-2-(azocan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2R)-2-(1-azocan-1-iumyl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2R)-2-(azocan-1-ium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2R)-2-(azocan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-13(19-10-6-4-3-5-7-11-19)17(21)18-15-12-14(20(22)23)8-9-16(15)24-2/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,18,21)/p+1/t13-/m1/s1