6-[3-[(2S,4R)-1-methyl-4-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]pyridin-1-ium-1-yl]hexanoic acid

Systemtic Name: 6-[3-[(2S,4R)-1-methyl-4-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]pyridin-1-ium-1-yl]hexanoic acid Openeye Name: 6-[3-[(2S,4R)-4-hydroxy-1-methyl-5-oxo-pyrrolidin-2-yl]pyridin-1-ium-1-yl]hexanoic acid CAS Name: 6-[3-[(2S,4R)-4-hydroxy-1-methyl-5-oxo-2-pyrrolidinyl]-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: 6-[3-[(2S,4R)-4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]hexanoic acid Traditional Name: 6-[3-[(2S,4R)-4-hydroxy-5-keto-1-methyl-pyrrolidin-2-yl]pyridin-1-ium-1-yl]hexanoic acid Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(C1=O)O)C2=C[N+](=CC=C2)CCCCCC(=O)O

Isomeric SMILES

CN1[C@@H](C[C@H](C1=O)O)C2=C[N+](=CC=C2)CCCCCC(=O)O

InChI

InChI=1S/C16H22N2O4/c1-17-13(10-14(19)16(17)22)12-6-5-9-18(11-12)8-4-2-3-7-15(20)21/h5-6,9,11,13-14,19H,2-4,7-8,10H2,1H3/p+1/t13-,14+/m0/s1