1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium-7-carboxylic acid

Systemtic Name: 1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium-7-carboxylic acid Openeye Name: 1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium-7-carboxylic acid CAS Name: 1,3-dimethyl-7-pyrido[2,1-b][1,3]benzothiazol-10-iumcarboxylic acid IUPAC Name: 1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium-7-carboxylic acid Traditional Name: 1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium-7-carboxylic acid Formula: C14H12NO2S+ MolecularWeight: 258.31558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=C(C=C(C=C3)C(=O)O)SC2=C1)C

Isomeric SMILES

CC1=CC(=[N+]2C3=C(C=C(C=C3)C(=O)O)SC2=C1)C

InChI

InChI=1S/C14H11NO2S/c1-8-5-9(2)15-11-4-3-10(14(16)17)7-12(11)18-13(15)6-8/h3-7H,1-2H3/p+1