3-[(2Z)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazol-3-yl]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazol-3-yl]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[(2Z)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzothiazol-3-yl]-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-[(2Z)-2-[(1-ethyl-6-methoxy-2-quinolin-1-iumyl)methylidene]-5-methoxy-1,3-benzothiazol-3-yl]-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazol-3-yl]-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzothiazol-3-yl]-2-hydroxy-propane-1-sulfonic acid Formula: C24H27N2O6S2+ MolecularWeight: 503.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)C=C3N(C4=C(S3)C=CC(=C4)OC)CC(CS(=O)(=O)O)O

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)/C=C\3/N(C4=C(S3)C=CC(=C4)OC)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C24H26N2O6S2/c1-4-25-17(6-5-16-11-19(31-2)7-9-21(16)25)12-24-26(14-18(27)15-34(28,29)30)22-13-20(32-3)8-10-23(22)33-24/h5-13,18,27H,4,14-15H2,1-3H3/p+1