N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-[2-(2-thienyl)thiazol-4-yl]acetamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-(2-thiophen-2-yl-4-thiazolyl)acetamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-2-[2-(2-thienyl)thiazol-4-yl]acetamide Formula: C22H26N3OS2+ MolecularWeight: 412.59134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CC3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CC3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H25N3OS2/c26-21(13-19-16-28-22(24-19)20-5-4-12-27-20)23-14-17-6-8-18(9-7-17)15-25-10-2-1-3-11-25/h4-9,12,16H,1-3,10-11,13-15H2,(H,23,26)/p+1