3-(5-bromanyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid

Systemtic Name: 3-(5-bromanyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid Openeye Name: 3-(5-bromo-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid CAS Name: 3-(5-bromo-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid IUPAC Name: 3-(5-bromo-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid Traditional Name: 3-(5-bromo-2-methyl-1,3-benzothiazol-3-ium-3-yl)propionic acid Formula: C11H11BrNO2S+ MolecularWeight: 301.17954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)Br)CCC(=O)O

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)Br)CCC(=O)O

InChI

InChI=1S/C11H10BrNO2S/c1-7-13(5-4-11(14)15)9-6-8(12)2-3-10(9)16-7/h2-3,6H,4-5H2,1H3/p+1