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

Systemtic Name: 3-[(2Z)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[(2Z)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[(2Z)-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-5-methoxy-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[(2Z)-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2Z)-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4S2/c1-4-25-19(8-7-18-14-17(2)6-10-21(18)25)15-24-26(12-5-13-32(27,28)29)22-16-20(30-3)9-11-23(22)31-24/h6-11,14-16H,4-5,12-13H2,1-3H3