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

Systemtic Name: 3-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonic acid Formula: C21H21N2O3S2+ MolecularWeight: 413.53304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4C=C3)CCCS(=O)(=O)O

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)CCCS(=O)(=O)O

InChI

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