(3R)-3-(azepan-1-ium-1-yl)-1-(4-methoxy-2-nitro-phenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-(azepan-1-ium-1-yl)-1-(4-methoxy-2-nitro-phenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-(azepan-1-ium-1-yl)-1-(4-methoxy-2-nitro-phenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-(1-azepan-1-iumyl)-1-(4-methoxy-2-nitrophenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(azepan-1-ium-1-yl)-1-(4-methoxy-2-nitrophenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(azepan-1-ium-1-yl)-1-(4-methoxy-2-nitro-phenyl)pyrrolidine-2,5-quinone Formula: C17H22N3O5+ MolecularWeight: 348.37368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c1-25-12-6-7-13(14(10-12)20(23)24)19-16(21)11-15(17(19)22)18-8-4-2-3-5-9-18/h6-7,10,15H,2-5,8-9,11H2,1H3/p+1/t15-/m1/s1