3-tert-butyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]-4-phenyl-1,3-thiazol-2-imine iodide

Systemtic Name: 3-tert-butyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]-4-phenyl-1,3-thiazol-2-imine iodide Openeye Name: 3-tert-butyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]-4-phenyl-thiazol-2-imine iodide CAS Name: 3-tert-butyl-N-[(1-methyl-4-pyridin-1-iumyl)methyl]-4-phenyl-2-thiazolimine iodide IUPAC Name: 3-tert-butyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]-4-phenyl-1,3-thiazol-2-imine iodide Traditional Name: (3-tert-butyl-4-phenyl-4-thiazolin-2-ylidene)-[(1-methylpyridin-1-ium-4-yl)methyl]amine iodide Formula: C20H24IN3S MolecularWeight: 465.39413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CSC1=NCC2=CC=[N+](C=C2)C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC(C)(C)N1C(=CSC1=NCC2=CC=[N+](C=C2)C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C20H24N3S.HI/c1-20(2,3)23-18(17-8-6-5-7-9-17)15-24-19(23)21-14-16-10-12-22(4)13-11-16;/h5-13,15H,14H2,1-4H3;1H/q+1;/p-1