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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C3=C(OC=N3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C3=C(OC=N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H22ClN3O2/c23-19-7-3-2-6-18(19)21-20(24-15-28-21)22(27)25-17-10-8-16(9-11-17)14-26-12-4-1-5-13-26/h2-3,6-11,15H,1,4-5,12-14H2,(H,25,27)/p+1