8-bromanyl-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate

Systemtic Name: 8-bromanyl-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Openeye Name: 8-bromo-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate CAS Name: 8-bromo-2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate IUPAC Name: 8-bromo-2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Traditional Name: 8-bromo-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Formula: C12H10BrClN2O4S MolecularWeight: 393.6408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=C(C=C(C=C3)Br)SC2=N1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+]2C3=C(C=C(C=C3)Br)SC2=N1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H10BrN2S.ClHO4/c1-7-5-8(2)15-10-4-3-9(13)6-11(10)16-12(15)14-7;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5)/q+1;/p-1