3-[(2E)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-7-methyl-quinolin-1-yl]propane-1-sulfonate

Systemtic Name: 3-[(2E)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-7-methyl-quinolin-1-yl]propane-1-sulfonate Openeye Name: 3-[(2E)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-7-methyl-1-quinolyl]propane-1-sulfonate CAS Name: 3-[(2E)-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-7-methyl-1-quinolinyl]-1-propanesulfonate IUPAC Name: 3-[(2E)-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-7-methylquinolin-1-yl]propane-1-sulfonate Traditional Name: 3-[(2E)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-7-methyl-1-quinolyl]propane-1-sulfonate Formula: C26H28N2O3S MolecularWeight: 448.57712

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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=C(C=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=C(C=C4)C

InChI

InChI=1S/C26H28N2O3S/c1-4-27-23(12-10-22-16-19(2)7-13-25(22)27)18-24-11-9-21-8-6-20(3)17-26(21)28(24)14-5-15-32(29,30)31/h6-13,16-18H,4-5,14-15H2,1-3H3