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

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]isoxazole-4-carboxamide Formula: C22H23ClN3O2+ MolecularWeight: 396.88992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H22ClN3O2/c1-15-20(21(25-28-15)18-6-2-3-7-19(18)23)22(27)24-17-10-8-16(9-11-17)14-26-12-4-5-13-26/h2-3,6-11H,4-5,12-14H2,1H3,(H,24,27)/p+1