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

Systemtic Name: [6,7-dimethoxy-2,4-bis(oxidanylidene)-1H-quinolin-3-ylidene]-(2-piperazin-4-ium-1-ylethylamino)methanolate Openeye Name: (6,7-dimethoxy-2,4-dioxo-1H-quinolin-3-ylidene)-(2-piperazin-4-ium-1-ylethylamino)methanolate CAS Name: (6,7-dimethoxy-2,4-dioxo-1H-quinolin-3-ylidene)-[2-(1-piperazin-4-iumyl)ethylamino]methanolate IUPAC Name: (6,7-dimethoxy-2,4-dioxo-1H-quinolin-3-ylidene)-(2-piperazin-4-ium-1-ylethylamino)methanolate Traditional Name: (2,4-diketo-6,7-dimethoxy-1H-quinolin-3-ylidene)-(2-piperazin-4-ium-1-ylethylamino)methanolate Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=C(NCCN3CC[NH2+]CC3)[O-])C(=O)N2)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=C(NCCN3CC[NH2+]CC3)[O-])C(=O)N2)OC

InChI

InChI=1S/C18H24N4O5/c1-26-13-9-11-12(10-14(13)27-2)21-18(25)15(16(11)23)17(24)20-5-8-22-6-3-19-4-7-22/h9-10,19-20,24H,3-8H2,1-2H3,(H,21,25)