methyl 4-[[2,6-bis(chloranyl)phenyl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: methyl 4-[[2,6-bis(chloranyl)phenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: methyl 4-[(2,6-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2,6-dichlorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-[(2,6-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(2,6-dichlorobenzyl)piperazin-4-ium-1-carboxylic acid methyl ester Formula: C13H17Cl2N2O2+ MolecularWeight: 304.19228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

COC(=O)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H16Cl2N2O2/c1-19-13(18)17-7-5-16(6-8-17)9-10-11(14)3-2-4-12(10)15/h2-4H,5-9H2,1H3/p+1