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

Systemtic Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenoxy]propanoate Openeye Name: 3-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]propanoate CAS Name: 3-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenoxy]propanoate IUPAC Name: 3-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]propanoate Traditional Name: 3-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]propionate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-16-7-9-17(10-8-16)15(20)12-2-4-13(5-3-12)21-11-6-14(18)19/h2-5H,6-11H2,1H3,(H,18,19)