ethyl 4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3,4-dichlorobenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H19Cl2N2O2+ MolecularWeight: 318.21886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)Cl)Cl

InChI

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