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

Systemtic Name: 2-[1-(4-bromanylbutyl)-3-ethyl-6-(2-methoxyethoxymethoxy)-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]pentanoate Openeye Name: 2-[1-(4-bromobutyl)-3-ethyl-6-(2-methoxyethoxymethoxy)-2,4-dioxo-quinazolin-3-ium-3-yl]pentanoate CAS Name: 2-[1-(4-bromobutyl)-3-ethyl-6-(2-methoxyethoxymethoxy)-2,4-dioxo-3-quinazolin-3-iumyl]pentanoate IUPAC Name: 2-[1-(4-bromobutyl)-3-ethyl-6-(2-methoxyethoxymethoxy)-2,4-dioxoquinazolin-3-ium-3-yl]pentanoate Traditional Name: 2-[1-(4-bromobutyl)-3-ethyl-2,4-diketo-6-(2-methoxyethoxymethoxy)quinazolin-3-ium-3-yl]valerate Formula: C23H33BrN2O7 MolecularWeight: 529.42132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33BrN2O7/c1-4-8-20(22(28)29)26(5-2)21(27)18-15-17(33-16-32-14-13-31-3)9-10-19(18)25(23(26)30)12-7-6-11-24/h9-10,15,20H,4-8,11-14,16H2,1-3H3