2,3-dimethylbutyl-bis(3-methylbutyl)-[12-[tris(3-methylbutyl)azaniumyl]dodecyl]azanium

Systemtic Name: 2,3-dimethylbutyl-bis(3-methylbutyl)-[12-[tris(3-methylbutyl)azaniumyl]dodecyl]azanium Openeye Name: 2,3-dimethylbutyl-diisopentyl-[12-(triisopentylammonio)dodecyl]ammonium CAS Name: 2,3-dimethylbutyl-bis(3-methylbutyl)-[12-[tris(3-methylbutyl)ammonio]dodecyl]ammonium IUPAC Name: 2,3-dimethylbutyl-bis(3-methylbutyl)-[12-[tris(3-methylbutyl)azaniumyl]dodecyl]azanium Traditional Name: 2,3-dimethylbutyl-diisoamyl-[12-(triisoamylammonio)dodecyl]ammonium Formula: C43H92N2+2 MolecularWeight: 637.20398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+](CCCCCCCCCCCC[N+](CCC(C)C)(CCC(C)C)CC(C)C(C)C)(CCC(C)C)CCC(C)C

Isomeric SMILES

CC(C)CC[N+](CCCCCCCCCCCC[N+](CCC(C)C)(CCC(C)C)CC(C)C(C)C)(CCC(C)C)CCC(C)C

InChI

InChI=1S/C43H92N2/c1-37(2)24-31-44(32-25-38(3)4,33-26-39(5)6)29-22-20-18-16-14-15-17-19-21-23-30-45(34-27-40(7)8,35-28-41(9)10)36-43(13)42(11)12/h37-43H,14-36H2,1-13H3/q+2