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

Systemtic Name: 5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxo-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-keto-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C25H24N3O5S+ MolecularWeight: 478.54016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C25H23N3O5S/c1-15-20(26-16(2)24(15)25(30)31)14-27-21-10-9-19(12-18(21)13-23(27)29)34(32,33)28-11-5-7-17-6-3-4-8-22(17)28/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3,(H,30,31)/p+1