1-(4-oxidanylidenechromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: 1-(4-oxidanylidenechromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: 1-(4-oxochromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: 1-(4-oxo-1-benzopyran-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: 1-(4-oxochromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: 1-(4-ketochromen-3-yl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C21H16N2O4 MolecularWeight: 360.36274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(C2=C1C3=CC=CC=C3N2)C4=COC5=CC=CC=C5C4=O)C(=O)[O-]

Isomeric SMILES

C1C([NH2+]C(C2=C1C3=CC=CC=C3N2)C4=COC5=CC=CC=C5C4=O)C(=O)[O-]

InChI

InChI=1S/C21H16N2O4/c24-20-12-6-2-4-8-17(12)27-10-14(20)19-18-13(9-16(23-19)21(25)26)11-5-1-3-7-15(11)22-18/h1-8,10,16,19,22-23H,9H2,(H,25,26)