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

Systemtic Name: methyl 4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: methyl 4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3,4-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=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

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