6,7-dimethoxy-3-[oxidanyl-(2-pyrrolidin-1-ium-1-ylethylamino)methylidene]-1H-quinoline-2,4-dione

Systemtic Name: 6,7-dimethoxy-3-[oxidanyl-(2-pyrrolidin-1-ium-1-ylethylamino)methylidene]-1H-quinoline-2,4-dione Openeye Name: 3-[hydroxy-(2-pyrrolidin-1-ium-1-ylethylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-dione CAS Name: 3-[hydroxy-[2-(1-pyrrolidin-1-iumyl)ethylamino]methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione IUPAC Name: 3-[hydroxy-(2-pyrrolidin-1-ium-1-ylethylamino)methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione Traditional Name: 3-[hydroxy-(2-pyrrolidin-1-ium-1-ylethylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-quinone Formula: C18H24N3O5+ MolecularWeight: 362.40026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=C(NCC[NH+]3CCCC3)O)C(=O)N2)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=C(NCC[NH+]3CCCC3)O)C(=O)N2)OC

InChI

InChI=1S/C18H23N3O5/c1-25-13-9-11-12(10-14(13)26-2)20-18(24)15(16(11)22)17(23)19-5-8-21-6-3-4-7-21/h9-10,19,23H,3-8H2,1-2H3,(H,20,24)/p+1