2-(1-chloranylbutyl)-6-methyl-2H-1,3-benzothiazol-3-ium 3-oxide

Systemtic Name: 2-(1-chloranylbutyl)-6-methyl-2H-1,3-benzothiazol-3-ium 3-oxide Openeye Name: 2-(1-chlorobutyl)-6-methyl-2H-1,3-benzothiazol-3-ium 3-oxide CAS Name: 2-(1-chlorobutyl)-6-methyl-2H-1,3-benzothiazol-3-ium 3-oxide IUPAC Name: 2-(1-chlorobutyl)-6-methyl-2H-1,3-benzothiazol-3-ium 3-oxide Traditional Name: 2-(1-chlorobutyl)-6-methyl-2H-1,3-benzothiazol-3-ium 3-oxide Formula: C12H15ClNOS+ MolecularWeight: 256.7716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1[N+](=O)C2=C(S1)C=C(C=C2)C)Cl

Isomeric SMILES

CCCC(C1[N+](=O)C2=C(S1)C=C(C=C2)C)Cl

InChI

InChI=1S/C12H15ClNOS/c1-3-4-9(13)12-14(15)10-6-5-8(2)7-11(10)16-12/h5-7,9,12H,3-4H2,1-2H3/q+1