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

Systemtic Name: 5-(4-chlorophenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(4-chlorophenyl)isoxazole-3-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-isoxazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(4-chlorophenyl)isoxazole-3-carboxamide Formula: C22H23ClN3O2+ MolecularWeight: 396.88992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O2/c23-18-8-6-17(7-9-18)21-14-20(25-28-21)22(27)24-19-10-12-26(13-11-19)15-16-4-2-1-3-5-16/h1-9,14,19H,10-13,15H2,(H,24,27)/p+1