3-butyl-2-phenethyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-butyl-2-phenethyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-butyl-2-phenethyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-butyl-2-phenethyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-butyl-2-phenethyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-butyl-2-phenethyl-1,3-benzothiazol-3-ium iodide Formula: C19H22INS MolecularWeight: 423.35415

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SC2=CC=CC=C21)CCC3=CC=CC=C3.[I-]

Isomeric SMILES

CCCC[N+]1=C(SC2=CC=CC=C21)CCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C19H22NS.HI/c1-2-3-15-20-17-11-7-8-12-18(17)21-19(20)14-13-16-9-5-4-6-10-16;/h4-12H,2-3,13-15H2,1H3;1H/q+1;/p-1