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

Systemtic Name: methyl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]butanoate Openeye Name: methyl 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]butyric acid methyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-23-17(22)8-5-9-18-16(21)14-19-10-12-20(13-11-19)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,18,21)/p+1