[6-[[(2S)-1-(dihexadecylamino)-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-hexyl]-trimethyl-azanium bromide

Systemtic Name: [6-[[(2S)-1-(dihexadecylamino)-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-hexyl]-trimethyl-azanium bromide Openeye Name: [6-[[(1S)-2-(dihexadecylamino)-1-methyl-2-oxo-ethyl]amino]-6-oxo-hexyl]-trimethyl-ammonium bromide CAS Name: [6-[[(2S)-1-(dihexadecylamino)-1-oxopropan-2-yl]amino]-6-oxohexyl]-trimethylammonium bromide IUPAC Name: [6-[[(2S)-1-(dihexadecylamino)-1-oxopropan-2-yl]amino]-6-oxohexyl]-trimethylazanium bromide Traditional Name: [6-[[(1S)-2-(dicetylamino)-2-keto-1-methyl-ethyl]amino]-6-keto-hexyl]-trimethyl-ammonium bromide Formula: C44H90BrN3O2 MolecularWeight: 773.1083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)C(C)NC(=O)CCCCC[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)[C@H](C)NC(=O)CCCCC[N+](C)(C)C.[Br-]

InChI

InChI=1S/C44H89N3O2.BrH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-46(40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-2)44(49)42(3)45-43(48)38-34-33-37-41-47(4,5)6;/h42H,7-41H2,1-6H3;1H/t42-;/m0./s1