2-[1-(4-chloranylbutyl)-3-ethyl-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]butanoic acid

Systemtic Name: 2-[1-(4-chloranylbutyl)-3-ethyl-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]butanoic acid Openeye Name: 2-[1-(4-chlorobutyl)-3-ethyl-2,4-dioxo-quinazolin-3-ium-3-yl]butanoic acid CAS Name: 2-[1-(4-chlorobutyl)-3-ethyl-2,4-dioxo-3-quinazolin-3-iumyl]butanoic acid IUPAC Name: 2-[1-(4-chlorobutyl)-3-ethyl-2,4-dioxoquinazolin-3-ium-3-yl]butanoic acid Traditional Name: 2-[1-(4-chlorobutyl)-3-ethyl-2,4-diketo-quinazolin-3-ium-3-yl]butyric acid Formula: C18H24ClN2O4+ MolecularWeight: 367.84716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+]1(C(=O)C2=CC=CC=C2N(C1=O)CCCCCl)CC

Isomeric SMILES

CCC(C(=O)O)[N+]1(C(=O)C2=CC=CC=C2N(C1=O)CCCCCl)CC

InChI

InChI=1S/C18H23ClN2O4/c1-3-15(17(23)24)21(4-2)16(22)13-9-5-6-10-14(13)20(18(21)25)12-8-7-11-19/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3/p+1