ethyl 4-[(2,4-dichlorophenyl)methyl]-4-methyl-piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl]-4-methyl-piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl]-4-methyl-piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[(2,4-dichlorophenyl)methyl]-4-methyl-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl]-4-methylpiperazin-4-ium-1-carboxylate chloride Traditional Name: 4-(2,4-dichlorobenzyl)-4-methyl-piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C15H21Cl3N2O2 MolecularWeight: 367.69844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[N+](CC1)(C)CC2=C(C=C(C=C2)Cl)Cl.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[N+](CC1)(C)CC2=C(C=C(C=C2)Cl)Cl.[Cl-]

InChI

InChI=1S/C15H21Cl2N2O2.ClH/c1-3-21-15(20)18-6-8-19(2,9-7-18)11-12-4-5-13(16)10-14(12)17;/h4-5,10H,3,6-9,11H2,1-2H3;1H/q+1;/p-1