3-butyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-butyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium iodide Openeye Name: 2-benzyl-3-butyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-butyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-benzyl-3-butyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-benzyl-3-butyl-1,3-benzothiazol-3-ium iodide Formula: C18H20INS MolecularWeight: 409.32757

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SC2=CC=CC=C21)CC3=CC=CC=C3.[I-]

Isomeric SMILES

CCCC[N+]1=C(SC2=CC=CC=C21)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H20NS.HI/c1-2-3-13-19-16-11-7-8-12-17(16)20-18(19)14-15-9-5-4-6-10-15;/h4-12H,2-3,13-14H2,1H3;1H/q+1;/p-1