methyl 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetic acid methyl ester Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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