3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)CCCS(=O)(=O)[O-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C21H20N2O3S2/c1-22-19-9-4-5-10-20(19)27-21(22)15-16-11-13-23(12-6-14-28(24,25)26)18-8-3-2-7-17(16)18/h2-5,7-11,13,15H,6,12,14H2,1H3