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

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-4-methyl-piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-4-methyl-piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[(2-chlorophenyl)methyl]-4-methyl-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-4-methylpiperazin-4-ium-1-carboxylate chloride Traditional Name: 4-(2-chlorobenzyl)-4-methyl-piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C15H22Cl2N2O2 MolecularWeight: 333.25338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2Cl.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2Cl.[Cl-]

InChI

InChI=1S/C15H22ClN2O2.ClH/c1-3-20-15(19)17-8-10-18(2,11-9-17)12-13-6-4-5-7-14(13)16;/h4-7H,3,8-12H2,1-2H3;1H/q+1;/p-1