N-(2,5-dimethoxyphenyl)-4-(4-ethoxyphenyl)-3-propyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-(4-ethoxyphenyl)-3-propyl-1,3-thiazol-3-ium-2-amine Openeye Name: N-(2,5-dimethoxyphenyl)-4-(4-ethoxyphenyl)-3-propyl-thiazol-3-ium-2-amine CAS Name: N-(2,5-dimethoxyphenyl)-4-(4-ethoxyphenyl)-3-propyl-2-thiazol-3-iumamine IUPAC Name: N-(2,5-dimethoxyphenyl)-4-(4-ethoxyphenyl)-3-propyl-1,3-thiazol-3-ium-2-amine Traditional Name: (2,5-dimethoxyphenyl)-(4-p-phenetyl-3-propyl-thiazol-3-ium-2-yl)amine Formula: C22H27N2O3S+ MolecularWeight: 399.52638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(SC=C1C2=CC=C(C=C2)OCC)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCC[N+]1=C(SC=C1C2=CC=C(C=C2)OCC)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H26N2O3S/c1-5-13-24-20(16-7-9-17(10-8-16)27-6-2)15-28-22(24)23-19-14-18(25-3)11-12-21(19)26-4/h7-12,14-15H,5-6,13H2,1-4H3/p+1