2-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]carbonylamino]ethanoate

Systemtic Name: 2-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]carbonylamino]ethanoate Openeye Name: 2-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoyl]amino]acetate CAS Name: 2-[[[4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoyl]amino]acetate Traditional Name: 2-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoyl]amino]acetate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c1-17-6-8-18(9-7-17)11-12-2-4-13(5-3-12)15(21)16-10-14(19)20/h2-5H,6-11H2,1H3,(H,16,21)(H,19,20)