methyl 2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]ethanoate

Systemtic Name: methyl 2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]ethanoate Openeye Name: methyl 2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]acetate CAS Name: 2-[3-(1-piperazin-4-iumylmethyl)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]acetate Traditional Name: 2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]acetic acid methyl ester Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC(=C1)CN2CC[NH2+]CC2

Isomeric SMILES

COC(=O)COC1=CC=CC(=C1)CN2CC[NH2+]CC2

InChI

InChI=1S/C14H20N2O3/c1-18-14(17)11-19-13-4-2-3-12(9-13)10-16-7-5-15-6-8-16/h2-4,9,15H,5-8,10-11H2,1H3/p+1