2-[1-(4-bromanylbutyl)-3-ethyl-6-oxidanyl-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]pentanoate

Systemtic Name: 2-[1-(4-bromanylbutyl)-3-ethyl-6-oxidanyl-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]pentanoate Openeye Name: 2-[1-(4-bromobutyl)-3-ethyl-6-hydroxy-2,4-dioxo-quinazolin-3-ium-3-yl]pentanoate CAS Name: 2-[1-(4-bromobutyl)-3-ethyl-6-hydroxy-2,4-dioxo-3-quinazolin-3-iumyl]pentanoate IUPAC Name: 2-[1-(4-bromobutyl)-3-ethyl-6-hydroxy-2,4-dioxoquinazolin-3-ium-3-yl]pentanoate Traditional Name: 2-[1-(4-bromobutyl)-3-ethyl-6-hydroxy-2,4-diketo-quinazolin-3-ium-3-yl]valerate Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])[N+]1(C(=O)C2=C(C=CC(=C2)O)N(C1=O)CCCCBr)CC

Isomeric SMILES

CCCC(C(=O)[O-])[N+]1(C(=O)C2=C(C=CC(=C2)O)N(C1=O)CCCCBr)CC

InChI

InChI=1S/C19H25BrN2O5/c1-3-7-16(18(25)26)22(4-2)17(24)14-12-13(23)8-9-15(14)21(19(22)27)11-6-5-10-20/h8-9,12,16H,3-7,10-11H2,1-2H3,(H-,23,25,26)