ethyl 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanoate

Systemtic Name: ethyl 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanoate Openeye Name: ethyl 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(2-chlorophenyl)-1-methyl-1-piperazin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propionic acid ethyl ester Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[N+]1(CCN(CC1)C2=CC=CC=C2Cl)C

Isomeric SMILES

CCOC(=O)CC[N+]1(CCN(CC1)C2=CC=CC=C2Cl)C

InChI

InChI=1S/C16H24ClN2O2/c1-3-21-16(20)8-11-19(2)12-9-18(10-13-19)15-7-5-4-6-14(15)17/h4-7H,3,8-13H2,1-2H3/q+1