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

Systemtic Name: 8-methoxy-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Openeye Name: 8-methoxy-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate CAS Name: 8-methoxy-2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate IUPAC Name: 8-methoxy-2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Traditional Name: 8-methoxy-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Formula: C13H13ClN2O5S MolecularWeight: 344.77072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N2OS.ClHO4/c1-8-6-9(2)15-11-5-4-10(16-3)7-12(11)17-13(15)14-8;2-1(3,4)5/h4-7H,1-3H3;(H,2,3,4,5)/q+1;/p-1