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

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCCCCC2

InChI

InChI=1S/C16H23N3O4/c1-12(18-9-5-3-4-6-10-18)16(20)17-14-11-13(19(21)22)7-8-15(14)23-2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,17,20)/p+1/t12-/m1/s1