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

Systemtic Name: methyl 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionic acid methyl ester Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

COC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2O

InChI

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