2-[[6-azanyl-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]ethyl-methyl-di(tetradecyl)azanium chloride

Systemtic Name: 2-[[6-azanyl-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]ethyl-methyl-di(tetradecyl)azanium chloride Openeye Name: 2-[[6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]ethyl-methyl-di(tetradecyl)ammonium chloride CAS Name: 2-[[6-amino-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]ethyl-methyl-di(tetradecyl)ammonium chloride IUPAC Name: 2-[[6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]ethyl-methyl-di(tetradecyl)azanium chloride Traditional Name: 2-[[6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]ethyl-methyl-dimyristyl-ammonium chloride Formula: C43H91ClN6O2 MolecularWeight: 759.67464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCNC(=O)C(CCCCN)NC(=O)C(CCCCN)N.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCNC(=O)C(CCCCN)NC(=O)[C@H](CCCCN)N.[Cl-]

InChI

InChI=1S/C43H90N6O2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-30-37-49(3,38-31-25-23-21-19-17-15-13-11-9-7-5-2)39-36-47-43(51)41(33-27-29-35-45)48-42(50)40(46)32-26-28-34-44;/h40-41H,4-39,44-46H2,1-3H3,(H-,47,48,50,51);1H/t40-,41?;/m0./s1