(3R)-3-(azepan-1-ium-1-yl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-(azepan-1-ium-1-yl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-(azepan-1-ium-1-yl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-(1-azepan-1-iumyl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(azepan-1-ium-1-yl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(azepan-1-ium-1-yl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-quinone Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCCCCC3)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-23-14-9-13(10-15(11-14)24-2)20-17(21)12-16(18(20)22)19-7-5-3-4-6-8-19/h9-11,16H,3-8,12H2,1-2H3/p+1/t16-/m1/s1