3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]isoxazole-4-carboxamide Formula: C22H25ClN3O2S+ MolecularWeight: 430.9708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C22H24ClN3O2S/c1-15-20(21(25-28-15)18-6-2-3-7-19(18)23)22(27)24-13-16-8-10-26(11-9-16)14-17-5-4-12-29-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,24,27)/p+1