2-[1,1-bis(oxidanyl)icosan-2-ylamino]ethanoic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-[1,1-bis(oxidanyl)icosan-2-ylamino]ethanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[1-(dihydroxymethyl)nonadecylamino]acetic acid; 2-(trimethylammonio)acetate CAS Name: 2-(1,1-dihydroxyeicosan-2-ylamino)acetic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-(1,1-dihydroxyicosan-2-ylamino)acetic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-[1-(dihydroxymethyl)nonadecylamino]acetic acid; 2-(trimethylammonio)acetate Formula: C27H56N2O6 MolecularWeight: 504.74334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H45NO4.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(26)27)23-19-21(24)25;1-6(2,3)4-5(7)8/h20,22-23,26-27H,2-19H2,1H3,(H,24,25);4H2,1-3H3