dibismuth 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-id-1-yl-quinoline-3-carboxylate hydrate

Systemtic Name: dibismuth 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-id-1-yl-quinoline-3-carboxylate hydrate Openeye Name: dibismuth 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-id-1-yl-quinoline-3-carboxylate hydrate CAS Name: dibismuth 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazin-4-idyl)-3-quinolinecarboxylate hydrate IUPAC Name: dibismuth 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-id-1-ylquinoline-3-carboxylate hydrate Traditional Name: dibismuth 1-cyclopropyl-6-fluoro-4-keto-7-piperazin-4-id-1-yl-quinoline-3-carboxylate hydrate Formula: C51H50Bi2F3N9O10 MolecularWeight: 1423.95297

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC[N-]CC4)F)C(=O)[O-].C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC[N-]CC4)F)C(=O)[O-].C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC[N-]CC4)F)C(=O)[O-].O.[Bi+3].[Bi+3]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC[N-]CC4)F)C(=O)[O-].C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC[N-]CC4)F)C(=O)[O-].C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC[N-]CC4)F)C(=O)[O-].O.[Bi+3].[Bi+3]

InChI

InChI=1S/3C17H17FN3O3.2Bi.H2O/c3*18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;;;/h3*7-10H,1-6H2,(H,23,24);;;1H2/q3*-1;2*+3;/p-3