3-ethyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium Openeye Name: 2-benzyl-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium IUPAC Name: 2-benzyl-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 2-benzyl-3-ethyl-1,3-benzothiazol-3-ium Formula: C16H16NS+ MolecularWeight: 254.36994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NS/c1-2-17-14-10-6-7-11-15(14)18-16(17)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/q+1