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

Systemtic Name: 3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-7-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-7-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-7-methyl-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-7-methylquinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-7-methyl-quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=C(C=CC(=C4)C)C=C3)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=C(C=CC(=C4)C)C=C3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C23H24N2O3S2/c1-3-24-20-7-4-5-8-22(20)29-23(24)16-19-12-11-18-10-9-17(2)15-21(18)25(19)13-6-14-30(26,27)28/h4-5,7-12,15-16H,3,6,13-14H2,1-2H3