methyl 4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: methyl 4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: methyl 4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-chlorobenzyl)piperazin-4-ium-1-carboxylic acid methyl ester Formula: C13H18ClN2O2+ MolecularWeight: 269.74722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O2/c1-18-13(17)16-8-6-15(7-9-16)10-11-4-2-3-5-12(11)14/h2-5H,6-10H2,1H3/p+1