[2-aminocarbonyl-4-azanyl-3-methyl-2,3,4-tris(oxidanyl)hexanoyl]-(5-bromanylpyridin-3-yl)carbonyl-octadecyl-phenyl-azanium

Systemtic Name: [2-aminocarbonyl-4-azanyl-3-methyl-2,3,4-tris(oxidanyl)hexanoyl]-(5-bromanylpyridin-3-yl)carbonyl-octadecyl-phenyl-azanium Openeye Name: (4-amino-2-carbamoyl-2,3,4-trihydroxy-3-methyl-hexanoyl)-(5-bromopyridine-3-carbonyl)-octadecyl-phenyl-ammonium CAS Name: (4-amino-2-carbamoyl-2,3,4-trihydroxy-3-methyl-1-oxohexyl)-[(5-bromo-3-pyridinyl)-oxomethyl]-octadecyl-phenylammonium IUPAC Name: (4-amino-2-carbamoyl-2,3,4-trihydroxy-3-methylhexanoyl)-(5-bromopyridine-3-carbonyl)-octadecyl-phenylazanium Traditional Name: (4-amino-2-carbamoyl-2,3,4-trihydroxy-3-methyl-hexanoyl)-(5-bromonicotinoyl)-phenyl-stearyl-ammonium Formula: C38H60BrN4O6+ MolecularWeight: 748.8102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C1=CC=CC=C1)(C(=O)C2=CC(=CN=C2)Br)C(=O)C(C(=O)N)(C(C)(C(CC)(N)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C1=CC=CC=C1)(C(=O)C2=CC(=CN=C2)Br)C(=O)C(C(=O)N)(C(C)(C(CC)(N)O)O)O

InChI

InChI=1S/C38H59BrN4O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-43(32-24-21-20-22-25-32,33(44)30-27-31(39)29-42-28-30)35(46)38(49,34(40)45)36(3,47)37(41,48)5-2/h20-22,24-25,27-29,47-49H,4-19,23,26,41H2,1-3H3,(H-,40,45)/p+1