3-[(2Z)-2-[(1-ethyl-8-methyl-quinolin-1-ium-2-yl)methylidene]-6-methyl-quinolin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-2-[(1-ethyl-8-methyl-quinolin-1-ium-2-yl)methylidene]-6-methyl-quinolin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-2-[(1-ethyl-8-methyl-quinolin-1-ium-2-yl)methylene]-6-methyl-1-quinolyl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-2-[(1-ethyl-8-methyl-2-quinolin-1-iumyl)methylidene]-6-methyl-1-quinolinyl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-2-[(1-ethyl-8-methylquinolin-1-ium-2-yl)methylidene]-6-methylquinolin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-[(1-ethyl-8-methyl-quinolin-1-ium-2-yl)methylene]-6-methyl-1-quinolyl]propane-1-sulfonic acid Formula: C26H29N2O3S+ MolecularWeight: 449.58506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C(=CC=C2)C)C=C3C=CC4=C(N3CCCS(=O)(=O)O)C=CC(=C4)C

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C(=CC=C2)C)/C=C\3/C=CC4=C(N3CCCS(=O)(=O)O)C=CC(=C4)C

InChI

InChI=1S/C26H28N2O3S/c1-4-27-23(12-10-21-8-5-7-20(3)26(21)27)18-24-13-11-22-17-19(2)9-14-25(22)28(24)15-6-16-32(29,30)31/h5,7-14,17-18H,4,6,15-16H2,1-3H3/p+1