(2S)-3-(4-hydroxyphenyl)-2-(pyrrolidin-1-ylsulfonylazaniumyl)propanoate

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(pyrrolidin-1-ylsulfonylazaniumyl)propanoate Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(pyrrolidin-1-ylsulfonylammonio)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-pyrrolidinylsulfonylammonio)propanoate IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(pyrrolidin-1-ylsulfonylazaniumyl)propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(pyrrolidinosulfonylammonio)propionate Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)[NH2+]C(CC2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)[NH2+][C@@H](CC2=CC=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C13H18N2O5S/c16-11-5-3-10(4-6-11)9-12(13(17)18)14-21(19,20)15-7-1-2-8-15/h3-6,12,14,16H,1-2,7-9H2,(H,17,18)/t12-/m0/s1