N,N-dimethyl-4-(3-methyl-4-pentyl-1,3-thiazol-3-ium-2-yl)aniline iodide

Systemtic Name: N,N-dimethyl-4-(3-methyl-4-pentyl-1,3-thiazol-3-ium-2-yl)aniline iodide Openeye Name: N,N-dimethyl-4-(3-methyl-4-pentyl-thiazol-3-ium-2-yl)aniline iodide CAS Name: N,N-dimethyl-4-(3-methyl-4-pentyl-2-thiazol-3-iumyl)aniline iodide IUPAC Name: N,N-dimethyl-4-(3-methyl-4-pentyl-1,3-thiazol-3-ium-2-yl)aniline iodide Traditional Name: [4-(4-amyl-3-methyl-thiazol-3-ium-2-yl)phenyl]-dimethyl-amine iodide Formula: C17H25IN2S MolecularWeight: 416.36327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CSC(=[N+]1C)C2=CC=C(C=C2)N(C)C.[I-]

Isomeric SMILES

CCCCCC1=CSC(=[N+]1C)C2=CC=C(C=C2)N(C)C.[I-]

InChI

InChI=1S/C17H25N2S.HI/c1-5-6-7-8-16-13-20-17(19(16)4)14-9-11-15(12-10-14)18(2)3;/h9-13H,5-8H2,1-4H3;1H/q+1;/p-1