2-[[(2R,4S)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(2R,4S)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(2R,4S)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[(2R,4S)-4-hydroxy-2-pyrrolidin-1-iumyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(2R,4S)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(2R,4S)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C13H29N3O2+2 MolecularWeight: 259.38826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1CC(C[NH2+]1)O)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)[C@H]1C[C@@H](C[NH2+]1)O)C(C)C

InChI

InChI=1S/C13H27N3O2/c1-9(2)16(10(3)4)6-5-14-13(18)12-7-11(17)8-15-12/h9-12,15,17H,5-8H2,1-4H3,(H,14,18)/p+2/t11-,12+/m0/s1