4-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)butanoate

Systemtic Name: 4-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)butanoate Openeye Name: 4-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)butanoate CAS Name: 4-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)butanoate IUPAC Name: 4-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)butanoate Traditional Name: 4-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)butyrate Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=C(C=C2)OC)CCCC(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=C(C=C2)OC)CCCC(=O)[O-]

InChI

InChI=1S/C13H15NO3S/c1-9-14(7-3-4-13(15)16)11-6-5-10(17-2)8-12(11)18-9/h5-6,8H,3-4,7H2,1-2H3