2-[4-[2-(4-chloranyl-3-methyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-(4-chloranyl-3-methyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(4-chloro-3-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(4-chloro-3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-(4-chloro-3-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C18H27ClN3O3+ MolecularWeight: 368.87828

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C18H26ClN3O3/c1-3-6-20-17(23)12-21-7-9-22(10-8-21)18(24)13-25-15-4-5-16(19)14(2)11-15/h4-5,11H,3,6-10,12-13H2,1-2H3,(H,20,23)/p+1