2-(carboxymethyl)-2-[dimethyl(2-oxidanyldocosan-4-yl)azaniumyl]-4-oxidanyl-pentanoate

Systemtic Name: 2-(carboxymethyl)-2-[dimethyl(2-oxidanyldocosan-4-yl)azaniumyl]-4-oxidanyl-pentanoate Openeye Name: 2-(carboxymethyl)-4-hydroxy-2-[1-(2-hydroxypropyl)nonadecyl-dimethyl-ammonio]pentanoate CAS Name: 2-(carboxymethyl)-4-hydroxy-2-[2-hydroxydocosan-4-yl(dimethyl)ammonio]pentanoate IUPAC Name: 2-(carboxymethyl)-4-hydroxy-2-[2-hydroxydocosan-4-yl(dimethyl)azaniumyl]pentanoate Traditional Name: 2-(carboxymethyl)-4-hydroxy-2-[1-(2-hydroxypropyl)nonadecyl-dimethyl-ammonio]valerate Formula: C31H61NO6 MolecularWeight: 543.81914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(C)O)[N+](C)(C)C(CC(C)O)(CC(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(C)O)[N+](C)(C)C(CC(C)O)(CC(=O)O)C(=O)[O-]

InChI

InChI=1S/C31H61NO6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(23-26(2)33)32(4,5)31(30(37)38,24-27(3)34)25-29(35)36/h26-28,33-34H,6-25H2,1-5H3,(H-,35,36,37,38)