3-(4-hydroxyphenyl)-2-(pyrrolidin-1-ium-2-ylcarbonylamino)propanoate

Systemtic Name: 3-(4-hydroxyphenyl)-2-(pyrrolidin-1-ium-2-ylcarbonylamino)propanoate Openeye Name: 3-(4-hydroxyphenyl)-2-(pyrrolidin-1-ium-2-carbonylamino)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[oxo(2-pyrrolidin-1-iumyl)methyl]amino]propanoate IUPAC Name: 3-(4-hydroxyphenyl)-2-(pyrrolidin-1-ium-2-carbonylamino)propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-(pyrrolidin-1-ium-2-carbonylamino)propionate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C1CC([NH2+]C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C14H18N2O4/c17-10-5-3-9(4-6-10)8-12(14(19)20)16-13(18)11-2-1-7-15-11/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18)(H,19,20)