ethyl 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C14H19Cl2N2O2+ MolecularWeight: 318.21886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18Cl2N2O2/c1-2-20-14(19)10-17-5-7-18(8-6-17)11-3-4-12(15)13(16)9-11/h3-4,9H,2,5-8,10H2,1H3/p+1