3-(4-bromanylbutyl)-2-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-(4-bromanylbutyl)-2-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-(4-bromobutyl)-2-methyl-1,3-benzothiazol-3-ium CAS Name: 3-(4-bromobutyl)-2-methyl-1,3-benzothiazol-3-ium IUPAC Name: 3-(4-bromobutyl)-2-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-(4-bromobutyl)-2-methyl-1,3-benzothiazol-3-ium Formula: C12H15BrNS+ MolecularWeight: 285.2232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCCBr

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCCBr

InChI

InChI=1S/C12H15BrNS/c1-10-14(9-5-4-8-13)11-6-2-3-7-12(11)15-10/h2-3,6-7H,4-5,8-9H2,1H3/q+1