3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 3-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propionamide Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN4O2/c1-13-12-16(20-24-13)19-17(23)6-7-21-8-10-22(11-9-21)15-4-2-14(18)3-5-15/h2-5,12H,6-11H2,1H3,(H,19,20,23)/p+1