(2S)-3-phenyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)propanoate

Systemtic Name: (2S)-3-phenyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)propanoate Openeye Name: (2S)-3-phenyl-2-(pyrrolidin-1-ylsulfonylammonio)propanoate CAS Name: (2S)-3-phenyl-2-(1-pyrrolidinylsulfonylammonio)propanoate IUPAC Name: (2S)-3-phenyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)propanoate Traditional Name: (2S)-3-phenyl-2-(pyrrolidinosulfonylammonio)propionate Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c16-13(17)12(10-11-6-2-1-3-7-11)14-20(18,19)15-8-4-5-9-15/h1-3,6-7,12,14H,4-5,8-10H2,(H,16,17)/t12-/m0/s1