2-(3,4-dimethoxyphenyl)-4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiazole-5-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-thiazolecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiazole-5-carboxamide Formula: C25H30N3O3S+ MolecularWeight: 452.589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C25H29N3O3S/c1-17-23(32-25(27-17)18-10-11-21(30-2)22(14-18)31-3)24(29)26-15-19-8-4-5-9-20(19)16-28-12-6-7-13-28/h4-5,8-11,14H,6-7,12-13,15-16H2,1-3H3,(H,26,29)/p+1