2-(azepan-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCCCCC2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCCCCC2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-12-9-14(19(21)22)15(23-2)10-13(12)17-16(20)11-18-7-5-3-4-6-8-18/h9-10H,3-8,11H2,1-2H3,(H,17,20)/p+1