3-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazol-3-ium

Systemtic Name: 3-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazol-3-ium Openeye Name: 3-[(2-chlorophenyl)methyl]-4,5-dimethyl-thiazol-3-ium CAS Name: 3-[(2-chlorophenyl)methyl]-4,5-dimethylthiazol-3-ium IUPAC Name: 3-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazol-3-ium Traditional Name: 3-(2-chlorobenzyl)-4,5-dimethyl-thiazol-3-ium Formula: C12H13ClNS+ MolecularWeight: 238.75632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC=CC=C2Cl)C

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2Cl)C

InChI

InChI=1S/C12H13ClNS/c1-9-10(2)15-8-14(9)7-11-5-3-4-6-12(11)13/h3-6,8H,7H2,1-2H3/q+1