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

Systemtic Name: methyl 2-[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-(p-tolylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(4-methylphenyl)methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-methylbenzyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)OC

InChI

InChI=1S/C15H22N2O2/c1-13-3-5-14(6-4-13)11-16-7-9-17(10-8-16)12-15(18)19-2/h3-6H,7-12H2,1-2H3/p+1