2-phenylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate

Systemtic Name: 2-phenylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Openeye Name: 2-phenylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate CAS Name: 2-phenylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate IUPAC Name: 2-phenylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Traditional Name: 2-phenylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate Formula: C16H11ClN2O4S MolecularWeight: 362.78754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=[N+](C=C2)C4=CC=CC=C4S3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=[N+](C=C2)C4=CC=CC=C4S3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H11N2S.ClHO4/c1-2-6-12(7-3-1)13-10-11-18-14-8-4-5-9-15(14)19-16(18)17-13;2-1(3,4)5/h1-11H;(H,2,3,4,5)/q+1;/p-1