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

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-(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:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCCCCC2

InChI

InChI=1S/C16H23N3O4/c1-23-15-7-6-13(19(21)22)12-14(15)17-16(20)8-11-18-9-4-2-3-5-10-18/h6-7,12H,2-5,8-11H2,1H3,(H,17,20)/p+1