4-(1-ethylpyrrolidin-1-ium-1-yl)-2-oxidanyl-2-phosphono-butanoic acid

Systemtic Name: 4-(1-ethylpyrrolidin-1-ium-1-yl)-2-oxidanyl-2-phosphono-butanoic acid Openeye Name: 4-(1-ethylpyrrolidin-1-ium-1-yl)-2-hydroxy-2-phosphono-butanoic acid CAS Name: 4-(1-ethyl-1-pyrrolidin-1-iumyl)-2-hydroxy-2-phosphonobutanoic acid IUPAC Name: 4-(1-ethylpyrrolidin-1-ium-1-yl)-2-hydroxy-2-phosphonobutanoic acid Traditional Name: 4-(1-ethylpyrrolidin-1-ium-1-yl)-2-hydroxy-2-phosphono-butyric acid Formula: C10H21NO6P+ MolecularWeight: 282.250601

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1)CCC(C(=O)O)(O)P(=O)(O)O

Isomeric SMILES

CC[N+]1(CCCC1)CCC(C(=O)O)(O)P(=O)(O)O

InChI

InChI=1S/C10H20NO6P/c1-2-11(6-3-4-7-11)8-5-10(14,9(12)13)18(15,16)17/h14H,2-8H2,1H3,(H2-,12,13,15,16,17)/p+1