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

Systemtic Name: methyl 4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]butyric acid methyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

COC(=O)CCCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C17H25N3O4/c1-24-17(23)7-4-8-18-16(22)13-19-9-11-20(12-10-19)14-5-2-3-6-15(14)21/h2-3,5-6,21H,4,7-13H2,1H3,(H,18,22)/p+1