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

Systemtic Name: 2-(phenylmethyl)-3-prop-2-enyl-1,3-benzothiazol-3-ium Openeye Name: 3-allyl-2-benzyl-1,3-benzothiazol-3-ium CAS Name: 2-(phenylmethyl)-3-prop-2-enyl-1,3-benzothiazol-3-ium IUPAC Name: 2-benzyl-3-prop-2-enyl-1,3-benzothiazol-3-ium Traditional Name: 3-allyl-2-benzyl-1,3-benzothiazol-3-ium Formula: C17H16NS+ MolecularWeight: 266.38064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16NS/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/q+1