2-(phenylmethyl)-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 2-(phenylmethyl)-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-allyl-2-benzyl-1,3-benzothiazol-3-ium bromide CAS Name: 2-(phenylmethyl)-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 2-benzyl-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-allyl-2-benzyl-1,3-benzothiazol-3-ium bromide Formula: C17H16BrNS MolecularWeight: 346.28464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16NS.BrH/c1-2-12-18-15-10-6-7-11-16(15)19-17(18)13-14-8-4-3-5-9-14;/h2-11H,1,12-13H2;1H/q+1;/p-1