3-(3-methoxy-4-methylsulfanyl-phenyl)-2-methyl-5-phenyl-1,3-thiazol-3-ium-4-amine perchlorate

Systemtic Name: 3-(3-methoxy-4-methylsulfanyl-phenyl)-2-methyl-5-phenyl-1,3-thiazol-3-ium-4-amine perchlorate Openeye Name: 3-(3-methoxy-4-methylsulfanyl-phenyl)-2-methyl-5-phenyl-thiazol-3-ium-4-amine perchlorate CAS Name: 3-[3-methoxy-4-(methylthio)phenyl]-2-methyl-5-phenyl-4-thiazol-3-iumamine perchlorate IUPAC Name: 3-(3-methoxy-4-methylsulfanylphenyl)-2-methyl-5-phenyl-1,3-thiazol-3-ium-4-amine perchlorate Traditional Name: [3-[3-methoxy-4-(methylthio)phenyl]-2-methyl-5-phenyl-thiazol-3-ium-4-yl]amine perchlorate Formula: C18H19ClN2O5S2 MolecularWeight: 442.93686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(S1)C2=CC=CC=C2)N)C3=CC(=C(C=C3)SC)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C(=C(S1)C2=CC=CC=C2)N)C3=CC(=C(C=C3)SC)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H19N2OS2.ClHO4/c1-12-20(14-9-10-16(22-3)15(11-14)21-2)18(19)17(23-12)13-7-5-4-6-8-13;2-1(3,4)5/h4-11H,19H2,1-3H3;(H,2,3,4,5)/q+1;/p-1