3-[(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-7-methyl-quinolin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-7-methyl-quinolin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-7-methyl-1-quinolyl]propane-1-sulfonic acid CAS Name: 3-[(2E)-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-7-methyl-1-quinolinyl]-1-propanesulfonic acid IUPAC Name: 3-[(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-7-methylquinolin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-7-methyl-1-quinolyl]propane-1-sulfonic acid Formula: C25H27N2O3S+ MolecularWeight: 435.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C=C3C=CC4=C(N3CCCS(=O)(=O)O)C=C(C=C4)C

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/3\C=CC4=C(N3CCCS(=O)(=O)O)C=C(C=C4)C

InChI

InChI=1S/C25H26N2O3S/c1-3-26-22(13-11-20-7-4-5-8-24(20)26)18-23-14-12-21-10-9-19(2)17-25(21)27(23)15-6-16-31(28,29)30/h4-5,7-14,17-18H,3,6,15-16H2,1-2H3/p+1