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

Systemtic Name: (2R,4S)-1-(azepan-1-ylsulfonyl)-4-methoxy-pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R,4S)-1-(azepan-1-ylsulfonyl)-4-methoxy-pyrrolidin-1-ium-2-carboxylate CAS Name: (2R,4S)-1-(1-azepanylsulfonyl)-4-methoxy-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R,4S)-1-(azepan-1-ylsulfonyl)-4-methoxypyrrolidin-1-ium-2-carboxylate Traditional Name: (2R,4S)-1-(azepan-1-ylsulfonyl)-4-methoxy-pyrrolidin-1-ium-2-carboxylate Formula: C12H22N2O5S MolecularWeight: 306.37848

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC([NH+](C1)S(=O)(=O)N2CCCCCC2)C(=O)[O-]

Isomeric SMILES

CO[C@H]1C[C@@H]([NH+](C1)S(=O)(=O)N2CCCCCC2)C(=O)[O-]

InChI

InChI=1S/C12H22N2O5S/c1-19-10-8-11(12(15)16)14(9-10)20(17,18)13-6-4-2-3-5-7-13/h10-11H,2-9H2,1H3,(H,15,16)/t10-,11+/m0/s1