N-(4-methoxy-2-nitro-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-methoxy-2-nitrophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide Formula: C14H21N4O4+ MolecularWeight: 309.34094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O4/c1-16-6-3-7-17(9-8-16)14(19)15-12-5-4-11(22-2)10-13(12)18(20)21/h4-5,10H,3,6-9H2,1-2H3,(H,15,19)/p+1