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

Systemtic Name: ethyl 2-[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(p-tolylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(4-methylphenyl)methyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-methylbenzyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-3-20-16(19)13-18-10-8-17(9-11-18)12-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3/p+1