3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propanoate

Systemtic Name: 3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propanoate Openeye Name: 3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propanoate CAS Name: 3-[3-[(4-methyl-1-piperazin-4-iumyl)methyl]phenoxy]propanoate IUPAC Name: 3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propanoate Traditional Name: 3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propionate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-16-6-8-17(9-7-16)12-13-3-2-4-14(11-13)20-10-5-15(18)19/h2-4,11H,5-10,12H2,1H3,(H,18,19)