3-[[8-[6-[(E)-10-azanyl-10-oxidanyl-dec-1-enyl]-4,5-dihexyl-cyclohex-2-en-1-yl]-1-oxidanyl-octyl]amino]propyl-trimethyl-azanium

Systemtic Name: 3-[[8-[6-[(E)-10-azanyl-10-oxidanyl-dec-1-enyl]-4,5-dihexyl-cyclohex-2-en-1-yl]-1-oxidanyl-octyl]amino]propyl-trimethyl-azanium Openeye Name: 3-[[8-[6-[(E)-10-amino-10-hydroxy-dec-1-enyl]-4,5-dihexyl-cyclohex-2-en-1-yl]-1-hydroxy-octyl]amino]propyl-trimethyl-ammonium CAS Name: 3-[[8-[6-[(E)-10-amino-10-hydroxydec-1-enyl]-4,5-dihexyl-1-cyclohex-2-enyl]-1-hydroxyoctyl]amino]propyl-trimethylammonium IUPAC Name: 3-[[8-[6-[(E)-10-amino-10-hydroxydec-1-enyl]-4,5-dihexylcyclohex-2-en-1-yl]-1-hydroxyoctyl]amino]propyl-trimethylazanium Traditional Name: 3-[[8-[6-[(E)-10-amino-10-hydroxy-dec-1-enyl]-4,5-dihexyl-cyclohex-2-en-1-yl]-1-hydroxy-octyl]amino]propyl-trimethyl-ammonium Formula: C42H84N3O2+ MolecularWeight: 663.13526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(C(C1CCCCCC)C=CCCCCCCCC(N)O)CCCCCCCC(NCCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCCC1C=CC(C(C1CCCCCC)/C=C/CCCCCCCC(N)O)CCCCCCCC(NCCC[N+](C)(C)C)O

InChI

InChI=1S/C42H84N3O2/c1-6-8-10-20-27-37-33-34-38(28-21-16-15-19-25-32-42(47)44-35-26-36-45(3,4)5)40(39(37)29-22-11-9-7-2)30-23-17-13-12-14-18-24-31-41(43)46/h23,30,33-34,37-42,44,46-47H,6-22,24-29,31-32,35-36,43H2,1-5H3/q+1/b30-23+