N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-1,3-thiazole-4-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-thiazole-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-phenyl-4-thiazolecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-phenyl-1,3-thiazole-4-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-thiazole-4-carboxamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CSC(=N2)C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CSC(=N2)C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C23H25N3O2S/c1-28-19-11-9-17(10-12-19)21(26-13-5-6-14-26)15-24-22(27)20-16-29-23(25-20)18-7-3-2-4-8-18/h2-4,7-12,16,21H,5-6,13-15H2,1H3,(H,24,27)/p+1/t21-/m0/s1