3-methyl-2-phenethyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-phenethyl-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-phenethyl-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-phenethyl-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-phenethyl-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-phenethyl-1,3-benzothiazol-3-ium Formula: C16H16NS+ MolecularWeight: 254.36994

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CCC3=CC=CC=C3

InChI

InChI=1S/C16H16NS/c1-17-14-9-5-6-10-15(14)18-16(17)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/q+1