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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H84N3O2/c1-6-8-10-21-28-38-33-34-39(29-22-17-15-16-20-26-37-47-44-35-27-36-45(3,4)5)41(40(38)30-23-11-9-7-2)31-24-18-13-12-14-19-25-32-42(43)46/h24,31,33-34,38-42,44,46H,6-23,25-30,32,35-37,43H2,1-5H3/q+1/b31-24+