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

Systemtic Name: 2-[1-(4-chloranylbutyl)-3-ethyl-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]propanoic acid Openeye Name: 2-[1-(4-chlorobutyl)-3-ethyl-2,4-dioxo-quinazolin-3-ium-3-yl]propanoic acid CAS Name: 2-[1-(4-chlorobutyl)-3-ethyl-2,4-dioxo-3-quinazolin-3-iumyl]propanoic acid IUPAC Name: 2-[1-(4-chlorobutyl)-3-ethyl-2,4-dioxoquinazolin-3-ium-3-yl]propanoic acid Traditional Name: 2-[1-(4-chlorobutyl)-3-ethyl-2,4-diketo-quinazolin-3-ium-3-yl]propionic acid Formula: C17H22ClN2O4+ MolecularWeight: 353.82058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O4/c1-3-20(12(2)16(22)23)15(21)13-8-4-5-9-14(13)19(17(20)24)11-7-6-10-18/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3/p+1