5-(2-chloroethyl)-4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium

Systemtic Name: 5-(2-chloroethyl)-4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium Openeye Name: 3-benzyl-5-(2-chloroethyl)-4-methyl-thiazol-3-ium CAS Name: 5-(2-chloroethyl)-4-methyl-3-(phenylmethyl)thiazol-3-ium IUPAC Name: 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium Traditional Name: 3-benzyl-5-(2-chloroethyl)-4-methyl-thiazol-3-ium Formula: C13H15ClNS+ MolecularWeight: 252.7829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCCl

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCCl

InChI

InChI=1S/C13H15ClNS/c1-11-13(7-8-14)16-10-15(11)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3/q+1