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

Systemtic Name: ethyl 1-[(2-chlorophenyl)methyl]-4-propyl-piperazin-1-ium-1-carboxylate Openeye Name: ethyl 1-[(2-chlorophenyl)methyl]-4-propyl-piperazin-1-ium-1-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-propyl-1-piperazin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-chlorophenyl)methyl]-4-propylpiperazin-1-ium-1-carboxylate Traditional Name: 1-(2-chlorobenzyl)-4-propyl-piperazin-1-ium-1-carboxylic acid ethyl ester Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC[N+](CC1)(CC2=CC=CC=C2Cl)C(=O)OCC

Isomeric SMILES

CCCN1CC[N+](CC1)(CC2=CC=CC=C2Cl)C(=O)OCC

InChI

InChI=1S/C17H26ClN2O2/c1-3-9-19-10-12-20(13-11-19,17(21)22-4-2)14-15-7-5-6-8-16(15)18/h5-8H,3-4,9-14H2,1-2H3/q+1