2-oxidanyl-4-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]-2-phosphono-butanoic acid bromide

Systemtic Name: 2-oxidanyl-4-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]-2-phosphono-butanoic acid bromide Openeye Name: 4-(1-benzylpyrrolidin-1-ium-1-yl)-2-hydroxy-2-phosphono-butanoic acid bromide CAS Name: 2-hydroxy-4-[1-(phenylmethyl)-1-pyrrolidin-1-iumyl]-2-phosphonobutanoic acid bromide IUPAC Name: 4-(1-benzylpyrrolidin-1-ium-1-yl)-2-hydroxy-2-phosphonobutanoic acid bromide Traditional Name: 4-(1-benzylpyrrolidin-1-ium-1-yl)-2-hydroxy-2-phosphono-butyric acid bromide Formula: C15H23BrNO6P MolecularWeight: 424.223981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCC(C(=O)O)(O)P(=O)(O)O)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C1CC[N+](C1)(CCC(C(=O)O)(O)P(=O)(O)O)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H22NO6P.BrH/c17-14(18)15(19,23(20,21)22)8-11-16(9-4-5-10-16)12-13-6-2-1-3-7-13;/h1-3,6-7,19H,4-5,8-12H2,(H2-,17,18,20,21,22);1H