1-(4-ethoxyphenyl)-3-(4-methyl-1,4-diazepane-1,4-diium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: 1-(4-ethoxyphenyl)-3-(4-methyl-1,4-diazepane-1,4-diium-1-yl)pyrrolidine-2,5-dione Openeye Name: 1-(4-ethoxyphenyl)-3-(4-methyl-1,4-diazepane-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: 1-(4-ethoxyphenyl)-3-(4-methyl-1,4-diazepane-1,4-diium-1-yl)pyrrolidine-2,5-dione IUPAC Name: 1-(4-ethoxyphenyl)-3-(4-methyl-1,4-diazepane-1,4-diium-1-yl)pyrrolidine-2,5-dione Traditional Name: 3-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C18H27N3O3+2 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC[NH+](CC3)C

InChI

InChI=1S/C18H25N3O3/c1-3-24-15-7-5-14(6-8-15)21-17(22)13-16(18(21)23)20-10-4-9-19(2)11-12-20/h5-8,16H,3-4,9-13H2,1-2H3/p+2