3-[2-[(Z)-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)methyl]-7-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(Z)-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)methyl]-7-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(Z)-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)methyl]-7-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(Z)-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)methyl]-7-methyl-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(Z)-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)methyl]-7-methylquinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(Z)-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)methyl]-7-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C)SC1=CC3=[N+](C4=C(C=CC(=C4)C)C=C3)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)C)S/C1=C\C3=[N+](C4=C(C=CC(=C4)C)C=C3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C24H26N2O3S2/c1-4-25-21-11-7-18(3)15-23(21)30-24(25)16-20-10-9-19-8-6-17(2)14-22(19)26(20)12-5-13-31(27,28)29/h6-11,14-16H,4-5,12-13H2,1-3H3