4-cyclopropyl-2-methyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate

Systemtic Name: 4-cyclopropyl-2-methyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Openeye Name: 4-cyclopropyl-2-methyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate CAS Name: 4-cyclopropyl-2-methylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate IUPAC Name: 4-cyclopropyl-2-methylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Traditional Name: 4-cyclopropyl-2-methyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Formula: C14H13ClN2O4S MolecularWeight: 340.78202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C3=CC=CC=C3S2)C(=C1)C4CC4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=NC2=[N+](C3=CC=CC=C3S2)C(=C1)C4CC4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H13N2S.ClHO4/c1-9-8-12(10-6-7-10)16-11-4-2-3-5-13(11)17-14(16)15-9;2-1(3,4)5/h2-5,8,10H,6-7H2,1H3;(H,2,3,4,5)/q+1;/p-1