3-[8-(2-hydroxyphenyl)carbonyl-11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]propanoic acid

Systemtic Name: 3-[8-(2-hydroxyphenyl)carbonyl-11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]propanoic acid Openeye Name: 3-[8-(2-hydroxybenzoyl)-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]propanoic acid CAS Name: 3-[8-[(2-hydroxyphenyl)-oxomethyl]-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]propanoic acid IUPAC Name: 3-[8-(2-hydroxybenzoyl)-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl]propanoic acid Traditional Name: 3-(11-keto-8-salicyloyl-5H-pyrido[2,1-b]quinazolin-10-ium-6-yl)propionic acid Formula: C22H17N2O5+ MolecularWeight: 389.38078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)[N+]3=CC(=CC(=C3N2)CCC(=O)O)C(=O)C4=CC=CC=C4O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[N+]3=CC(=CC(=C3N2)CCC(=O)O)C(=O)C4=CC=CC=C4O

InChI

InChI=1S/C22H16N2O5/c25-18-8-4-2-6-16(18)20(28)14-11-13(9-10-19(26)27)21-23-17-7-3-1-5-15(17)22(29)24(21)12-14/h1-8,11-12H,9-10H2,(H2,25,26,27,28)/p+1