(2R,4S)-1-(azepan-1-ylsulfonyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R,4S)-1-(azepan-1-ylsulfonyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R,4S)-1-(azepan-1-ylsulfonyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxylate CAS Name: (2R,4S)-1-(1-azepanylsulfonyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R,4S)-1-(azepan-1-ylsulfonyl)-4-hydroxypyrrolidin-1-ium-2-carboxylate Traditional Name: (2R,4S)-1-(azepan-1-ylsulfonyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxylate Formula: C11H20N2O5S MolecularWeight: 292.3519

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)[NH+]2CC(CC2C(=O)[O-])O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)[NH+]2C[C@H](C[C@@H]2C(=O)[O-])O

InChI

InChI=1S/C11H20N2O5S/c14-9-7-10(11(15)16)13(8-9)19(17,18)12-5-3-1-2-4-6-12/h9-10,14H,1-8H2,(H,15,16)/t9-,10+/m0/s1