[4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl] ethanoate iodide

Systemtic Name: [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl] ethanoate iodide Openeye Name: [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl] acetate iodide CAS Name: acetic acid [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl] ester iodide IUPAC Name: [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl] acetate iodide Traditional Name: acetic acid [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl] ester iodide Formula: C17H16INO2S MolecularWeight: 425.28391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)OC(=O)C)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)OC(=O)C)C.[I-]

InChI

InChI=1S/C17H16NO2S.HI/c1-11-4-9-15-16(10-11)21-17(18(15)3)13-5-7-14(8-6-13)20-12(2)19;/h4-10H,1-3H3;1H/q+1;/p-1