5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxo-indolin-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid CAS Name: 5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-keto-indolin-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid Formula: C23H20N3O5S+ MolecularWeight: 450.487

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC4=C(C=C3)[N+](=CC5=CC=C(N5)C(=O)O)C(=O)C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC4=C(C=C3)[N+](=CC5=CC=C(N5)C(=O)O)C(=O)C4

InChI

InChI=1S/C23H19N3O5S/c27-22-13-16-12-18(32(30,31)26-11-3-5-15-4-1-2-6-21(15)26)8-10-20(16)25(22)14-17-7-9-19(24-17)23(28)29/h1-2,4,6-10,12,14H,3,5,11,13H2,(H,28,29)/p+1