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

Systemtic Name: 8-methoxy-2,3,4-trimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Openeye Name: 8-methoxy-2,3,4-trimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate CAS Name: 8-methoxy-2,3,4-trimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate IUPAC Name: 8-methoxy-2,3,4-trimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Traditional Name: 8-methoxy-2,3,4-trimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Formula: C14H15ClN2O5S MolecularWeight: 358.7973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2[N+](=C1C)C3=C(S2)C=C(C=C3)OC)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C(N=C2[N+](=C1C)C3=C(S2)C=C(C=C3)OC)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H15N2OS.ClHO4/c1-8-9(2)15-14-16(10(8)3)12-6-5-11(17-4)7-13(12)18-14;2-1(3,4)5/h5-7H,1-4H3;(H,2,3,4,5)/q+1;/p-1