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

Systemtic Name: 4-methyl-2-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-2-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiazole-5-carboxamide CAS Name: 4-methyl-2-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-thiazolecarboxamide IUPAC Name: 4-methyl-2-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Traditional Name: 4-methyl-2-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiazole-5-carboxamide Formula: C23H26N3OS+ MolecularWeight: 392.53704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3OS/c1-17-21(28-23(25-17)18-9-3-2-4-10-18)22(27)24-15-19-11-5-6-12-20(19)16-26-13-7-8-14-26/h2-6,9-12H,7-8,13-16H2,1H3,(H,24,27)/p+1