[6,7-dimethoxy-2,4-bis(oxidanylidene)-1H-quinolin-3-ylidene]-(2-pyrrolidin-1-ium-1-ylethylamino)methanolate

Systemtic Name: [6,7-dimethoxy-2,4-bis(oxidanylidene)-1H-quinolin-3-ylidene]-(2-pyrrolidin-1-ium-1-ylethylamino)methanolate Openeye Name: (6,7-dimethoxy-2,4-dioxo-1H-quinolin-3-ylidene)-(2-pyrrolidin-1-ium-1-ylethylamino)methanolate CAS Name: (6,7-dimethoxy-2,4-dioxo-1H-quinolin-3-ylidene)-[2-(1-pyrrolidin-1-iumyl)ethylamino]methanolate IUPAC Name: (6,7-dimethoxy-2,4-dioxo-1H-quinolin-3-ylidene)-(2-pyrrolidin-1-ium-1-ylethylamino)methanolate Traditional Name: (2,4-diketo-6,7-dimethoxy-1H-quinolin-3-ylidene)-(2-pyrrolidin-1-ium-1-ylethylamino)methanolate Formula: C18H23N3O5 MolecularWeight: 361.39232

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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)