2-[3-azanyl-2-oxidanylidene-1-(phenylmethyl)sulfonyl-pyrrolidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-azanyl-2-oxidanylidene-1-(phenylmethyl)sulfonyl-pyrrolidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-(3-amino-1-benzylsulfonyl-2-oxo-pyrrolidin-1-ium-1-yl)acetic acid CAS Name: 2-[3-amino-2-oxo-1-(phenylmethyl)sulfonyl-1-pyrrolidin-1-iumyl]acetic acid IUPAC Name: 2-(3-amino-1-benzylsulfonyl-2-oxopyrrolidin-1-ium-1-yl)acetic acid Traditional Name: 2-(3-amino-1-benzylsulfonyl-2-keto-pyrrolidin-1-ium-1-yl)acetic acid Formula: C13H17N2O5S+ MolecularWeight: 313.34948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(=O)C1N)(CC(=O)O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1C[N+](C(=O)C1N)(CC(=O)O)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O5S/c14-11-6-7-15(13(11)18,8-12(16)17)21(19,20)9-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2/p+1