2-[1-(4-bromanylbutyl)-3-ethyl-6-methoxy-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]pentanoic acid

Systemtic Name: 2-[1-(4-bromanylbutyl)-3-ethyl-6-methoxy-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]pentanoic acid Openeye Name: 2-[1-(4-bromobutyl)-3-ethyl-6-methoxy-2,4-dioxo-quinazolin-3-ium-3-yl]pentanoic acid CAS Name: 2-[1-(4-bromobutyl)-3-ethyl-6-methoxy-2,4-dioxo-3-quinazolin-3-iumyl]pentanoic acid IUPAC Name: 2-[1-(4-bromobutyl)-3-ethyl-6-methoxy-2,4-dioxoquinazolin-3-ium-3-yl]pentanoic acid Traditional Name: 2-[1-(4-bromobutyl)-3-ethyl-2,4-diketo-6-methoxy-quinazolin-3-ium-3-yl]valeric acid Formula: C20H28BrN2O5+ MolecularWeight: 456.35072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O5/c1-4-8-17(19(25)26)23(5-2)18(24)15-13-14(28-3)9-10-16(15)22(20(23)27)12-7-6-11-21/h9-10,13,17H,4-8,11-12H2,1-3H3/p+1