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

Systemtic Name: ethyl 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C15H22ClN2O2+ MolecularWeight: 297.80038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H21ClN2O2/c1-2-20-15(19)12-18-8-6-17(7-9-18)11-13-4-3-5-14(16)10-13/h3-5,10H,2,6-9,11-12H2,1H3/p+1