1-(7-methyl-4-oxidanylidene-chromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: 1-(7-methyl-4-oxidanylidene-chromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: 1-(7-methyl-4-oxo-chromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: 1-(7-methyl-4-oxo-1-benzopyran-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: 1-(7-methyl-4-oxochromen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: 1-(4-keto-7-methyl-chromen-3-yl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=CO2)C3C4=C(CC([NH2+]3)C(=O)[O-])C5=CC=CC=C5N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=CO2)C3C4=C(CC([NH2+]3)C(=O)[O-])C5=CC=CC=C5N4

InChI

InChI=1S/C22H18N2O4/c1-11-6-7-13-18(8-11)28-10-15(21(13)25)20-19-14(9-17(24-20)22(26)27)12-4-2-3-5-16(12)23-19/h2-8,10,17,20,23-24H,9H2,1H3,(H,26,27)