4-phenyl-1,2-dihydropyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate

Systemtic Name: 4-phenyl-1,2-dihydropyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate Openeye Name: 4-phenyl-1,2-dihydropyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate CAS Name: 4-phenyl-1,2-dihydropyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate IUPAC Name: 4-phenyl-1,2-dihydropyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate Traditional Name: 4-phenyl-1,2-dihydropyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate Formula: C17H14ClNO4S MolecularWeight: 363.81536

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2=C(C(=C1)C3=CC=CC=C3)SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1C[N+]2=C(C(=C1)C3=CC=CC=C3)SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H14NS.ClHO4/c1-2-7-13(8-3-1)14-9-6-12-18-15-10-4-5-11-16(15)19-17(14)18;2-1(3,4)5/h1-5,7-11H,6,12H2;(H,2,3,4,5)/q+1;/p-1