6-[[14-(azaniumylmethyl)-6-[(decylazaniumyl)methyl]-2-methyl-10-[[[3-(2-methylbutylazaniumyl)-2-oxidanyl-propyl]azaniumyl]methyl]hexadecyl]azaniumyl]hexyl-trimethyl-azanium

Systemtic Name: 6-[[14-(azaniumylmethyl)-6-[(decylazaniumyl)methyl]-2-methyl-10-[[[3-(2-methylbutylazaniumyl)-2-oxidanyl-propyl]azaniumyl]methyl]hexadecyl]azaniumyl]hexyl-trimethyl-azanium Openeye Name: 6-[[14-(azaniumylmethyl)-6-[(decylammonio)methyl]-10-[[[2-hydroxy-3-(2-methylbutylammonio)propyl]ammonio]methyl]-2-methyl-hexadecyl]ammonio]hexyl-trimethyl-ammonium CAS Name: 6-[[14-(ammoniomethyl)-6-[(decylammonio)methyl]-10-[[[2-hydroxy-3-(2-methylbutylammonio)propyl]ammonio]methyl]-2-methylhexadecyl]ammonio]hexyl-trimethylammonium IUPAC Name: 6-[[14-(azaniumylmethyl)-6-[(decylazaniumyl)methyl]-10-[[[2-hydroxy-3-(2-methylbutylazaniumyl)propyl]azaniumyl]methyl]-2-methylhexadecyl]azaniumyl]hexyl-trimethylazanium Traditional Name: 6-[[14-(ammoniomethyl)-6-[(decylammonio)methyl]-10-[[[2-hydroxy-3-(2-methylbutylammonio)propyl]ammonio]methyl]-2-methyl-hexadecyl]ammonio]hexyl-trimethyl-ammonium Formula: C47H108N6O+6 MolecularWeight: 773.40002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[NH2+]CC(CCCC(C)C[NH2+]CCCCCC[N+](C)(C)C)CCCC(CCCC(CC)C[NH3+])C[NH2+]CC(C[NH2+]CC(C)CC)O

Isomeric SMILES

CCCCCCCCCC[NH2+]CC(CCCC(C)C[NH2+]CCCCCC[N+](C)(C)C)CCCC(CCCC(CC)C[NH3+])C[NH2+]CC(C[NH2+]CC(C)CC)O

InChI

InChI=1S/C47H103N6O/c1-9-12-13-14-15-16-17-20-33-50-38-45(28-23-26-43(5)37-49-32-21-18-19-22-34-53(6,7)8)30-25-31-46(29-24-27-44(11-3)35-48)39-52-41-47(54)40-51-36-42(4)10-2/h42-47,49-52,54H,9-41,48H2,1-8H3/q+1/p+5