6-(4-methoxy-2,6-dimethyl-pyridin-1-ium-1-yl)-2,3-dimethyl-1,3-benzothiazol-3-ium

Systemtic Name: 6-(4-methoxy-2,6-dimethyl-pyridin-1-ium-1-yl)-2,3-dimethyl-1,3-benzothiazol-3-ium Openeye Name: 6-(4-methoxy-2,6-dimethyl-pyridin-1-ium-1-yl)-2,3-dimethyl-1,3-benzothiazol-3-ium CAS Name: 6-(4-methoxy-2,6-dimethyl-1-pyridin-1-iumyl)-2,3-dimethyl-1,3-benzothiazol-3-ium IUPAC Name: 6-(4-methoxy-2,6-dimethylpyridin-1-ium-1-yl)-2,3-dimethyl-1,3-benzothiazol-3-ium Traditional Name: 6-(4-methoxy-2,6-dimethyl-pyridin-1-ium-1-yl)-2,3-dimethyl-1,3-benzothiazol-3-ium Formula: C17H20N2OS+2 MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC3=C(C=C2)[N+](=C(S3)C)C)C)OC

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC3=C(C=C2)[N+](=C(S3)C)C)C)OC

InChI

InChI=1S/C17H20N2OS/c1-11-8-15(20-5)9-12(2)19(11)14-6-7-16-17(10-14)21-13(3)18(16)4/h6-10H,1-5H3/q+2