2-[4-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[4-(4-chloro-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[4-(4-chloro-2-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[4-(4-chloro-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C20H31ClN3O3+ MolecularWeight: 396.93144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C20H30ClN3O3/c1-3-8-22-19(25)15-23-9-11-24(12-10-23)20(26)5-4-13-27-18-7-6-17(21)14-16(18)2/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,22,25)/p+1