ethyl 4-[[2,3-bis(chloranyl)phenyl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[2,3-bis(chloranyl)phenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2,3-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2,3-dichlorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,3-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(2,3-dichlorobenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H19Cl2N2O2+ MolecularWeight: 318.21886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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