3,4-dimethyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-3-ium-2-amine iodide

Systemtic Name: 3,4-dimethyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-3-ium-2-amine iodide Openeye Name: 3,4-dimethyl-N-(4-pyridylmethyl)thiazol-3-ium-2-amine iodide CAS Name: 3,4-dimethyl-N-(pyridin-4-ylmethyl)-2-thiazol-3-iumamine iodide IUPAC Name: 3,4-dimethyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-3-ium-2-amine iodide Traditional Name: (3,4-dimethylthiazol-3-ium-2-yl)-(4-pyridylmethyl)amine iodide Formula: C11H14IN3S MolecularWeight: 347.21843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1C)NCC2=CC=NC=C2.[I-]

Isomeric SMILES

CC1=CSC(=[N+]1C)NCC2=CC=NC=C2.[I-]

InChI

InChI=1S/C11H13N3S.HI/c1-9-8-15-11(14(9)2)13-7-10-3-5-12-6-4-10;/h3-6,8H,7H2,1-2H3;1H