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

Systemtic Name: 2-[1-(4-chloranylbutyl)-3-methyl-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]ethanoic acid Openeye Name: 2-[1-(4-chlorobutyl)-3-methyl-2,4-dioxo-quinazolin-3-ium-3-yl]acetic acid CAS Name: 2-[1-(4-chlorobutyl)-3-methyl-2,4-dioxo-3-quinazolin-3-iumyl]acetic acid IUPAC Name: 2-[1-(4-chlorobutyl)-3-methyl-2,4-dioxoquinazolin-3-ium-3-yl]acetic acid Traditional Name: 2-[1-(4-chlorobutyl)-2,4-diketo-3-methyl-quinazolin-3-ium-3-yl]acetic acid Formula: C15H18ClN2O4+ MolecularWeight: 325.76742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O4/c1-18(10-13(19)20)14(21)11-6-2-3-7-12(11)17(15(18)22)9-5-4-8-16/h2-3,6-7H,4-5,8-10H2,1H3/p+1