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

Systemtic Name: 2-[1-(3-chloranylpropyl)-3-ethyl-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]propanoic acid Openeye Name: 2-[1-(3-chloropropyl)-3-ethyl-2,4-dioxo-quinazolin-3-ium-3-yl]propanoic acid CAS Name: 2-[1-(3-chloropropyl)-3-ethyl-2,4-dioxo-3-quinazolin-3-iumyl]propanoic acid IUPAC Name: 2-[1-(3-chloropropyl)-3-ethyl-2,4-dioxoquinazolin-3-ium-3-yl]propanoic acid Traditional Name: 2-[1-(3-chloropropyl)-3-ethyl-2,4-diketo-quinazolin-3-ium-3-yl]propionic acid Formula: C16H20ClN2O4+ MolecularWeight: 339.794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O4/c1-3-19(11(2)15(21)22)14(20)12-7-4-5-8-13(12)18(16(19)23)10-6-9-17/h4-5,7-8,11H,3,6,9-10H2,1-2H3/p+1