[5-(hexacosan-13-ylamino)-4-(hexacosan-13-ylcarbamoyl)-2,3-dimethyl-5-oxidanylidene-pent-3-en-2-yl]azanium bromide

Systemtic Name: [5-(hexacosan-13-ylamino)-4-(hexacosan-13-ylcarbamoyl)-2,3-dimethyl-5-oxidanylidene-pent-3-en-2-yl]azanium bromide Openeye Name: [4-(1-dodecyltetradecylamino)-3-(1-dodecyltetradecylcarbamoyl)-1,1,2-trimethyl-4-oxo-but-2-enyl]ammonium bromide CAS Name: [5-(hexacosan-13-ylamino)-4-[(hexacosan-13-ylamino)-oxomethyl]-2,3-dimethyl-5-oxopent-3-en-2-yl]ammonium bromide IUPAC Name: [5-(hexacosan-13-ylamino)-4-(hexacosan-13-ylcarbamoyl)-2,3-dimethyl-5-oxopent-3-en-2-yl]azanium bromide Traditional Name: [4-keto-4-(1-lauryltetradecylamino)-3-(1-lauryltetradecylcarbamoyl)-1,1,2-trimethyl-but-2-enyl]ammonium bromide Formula: C60H120BrN3O2 MolecularWeight: 995.5177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCC)NC(=O)C(=C(C)C(C)(C)[NH3+])C(=O)NC(CCCCCCCCCCCC)CCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCC)NC(=O)C(=C(C)C(C)(C)[NH3+])C(=O)NC(CCCCCCCCCCCC)CCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C60H119N3O2.BrH/c1-8-12-16-20-24-28-32-36-40-44-48-52-55(50-46-42-38-34-30-26-22-18-14-10-3)62-58(64)57(54(5)60(6,7)61)59(65)63-56(51-47-43-39-35-31-27-23-19-15-11-4)53-49-45-41-37-33-29-25-21-17-13-9-2;/h55-56H,8-53,61H2,1-7H3,(H,62,64)(H,63,65);1H