[2-aminocarbonyl-3-methyl-2,3,4-tris(oxidanyl)butanoyl]-ethanoyl-octadecyl-(pyridin-2-ylmethyl)azanium

Systemtic Name: [2-aminocarbonyl-3-methyl-2,3,4-tris(oxidanyl)butanoyl]-ethanoyl-octadecyl-(pyridin-2-ylmethyl)azanium Openeye Name: acetyl-(2-carbamoyl-2,3,4-trihydroxy-3-methyl-butanoyl)-octadecyl-(2-pyridylmethyl)ammonium CAS Name: acetyl-(2-carbamoyl-2,3,4-trihydroxy-3-methyl-1-oxobutyl)-octadecyl-(2-pyridinylmethyl)ammonium IUPAC Name: acetyl-(2-carbamoyl-2,3,4-trihydroxy-3-methylbutanoyl)-octadecyl-(pyridin-2-ylmethyl)azanium Traditional Name: acetyl-(2-carbamoyl-2,3,4-trihydroxy-3-methyl-butanoyl)-(2-pyridylmethyl)-stearyl-ammonium Formula: C32H56N3O6+ MolecularWeight: 578.80354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CC1=CC=CC=N1)(C(=O)C)C(=O)C(C(=O)N)(C(C)(CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CC1=CC=CC=N1)(C(=O)C)C(=O)C(C(=O)N)(C(C)(CO)O)O

InChI

InChI=1S/C32H55N3O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-35(27(2)37,25-28-22-19-20-23-34-28)30(39)32(41,29(33)38)31(3,40)26-36/h19-20,22-23,36,40-41H,4-18,21,24-26H2,1-3H3,(H-,33,38)/p+1