3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propanoate

Systemtic Name: 3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propanoate Openeye Name: 3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propanoate CAS Name: 3-(2-methyl-3-benzo[g][1,3]benzothiazol-3-iumyl)propanoate IUPAC Name: 3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propanoate Traditional Name: 3-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)propionate Formula: C15H13NO2S MolecularWeight: 271.33422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C3=CC=CC=C3C=C2)CCC(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C3=CC=CC=C3C=C2)CCC(=O)[O-]

InChI

InChI=1S/C15H13NO2S/c1-10-16(9-8-14(17)18)13-7-6-11-4-2-3-5-12(11)15(13)19-10/h2-7H,8-9H2,1H3