dihexyl-[2-[[4-[2-(hexyl-methyl-pentyl-azaniumyl)ethoxycarbonylamino]phenyl]carbamoyloxy]ethyl]-methyl-azanium

Systemtic Name: dihexyl-[2-[[4-[2-(hexyl-methyl-pentyl-azaniumyl)ethoxycarbonylamino]phenyl]carbamoyloxy]ethyl]-methyl-azanium Openeye Name: dihexyl-[2-[[4-[2-(hexyl-methyl-pentyl-ammonio)ethoxycarbonylamino]phenyl]carbamoyloxy]ethyl]-methyl-ammonium CAS Name: dihexyl-[2-[[4-[[2-(hexyl-methyl-pentylammonio)ethoxy-oxomethyl]amino]anilino]-oxomethoxy]ethyl]-methylammonium IUPAC Name: dihexyl-[2-[[4-[2-(hexyl-methyl-pentylazaniumyl)ethoxycarbonylamino]phenyl]carbamoyloxy]ethyl]-methylazanium Traditional Name: amyl-[2-[[4-[2-[dihexyl(methyl)ammonio]ethoxycarbonylamino]phenyl]carbamoyloxy]ethyl]-hexyl-methyl-ammonium Formula: C37H70N4O4+2 MolecularWeight: 634.9761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(CCCCC)CCOC(=O)NC1=CC=C(C=C1)NC(=O)OCC[N+](C)(CCCCCC)CCCCCC

Isomeric SMILES

CCCCCC[N+](C)(CCCCC)CCOC(=O)NC1=CC=C(C=C1)NC(=O)OCC[N+](C)(CCCCCC)CCCCCC

InChI

InChI=1S/C37H68N4O4/c1-7-11-15-19-27-40(5,26-18-14-10-4)30-32-44-36(42)38-34-22-24-35(25-23-34)39-37(43)45-33-31-41(6,28-20-16-12-8-2)29-21-17-13-9-3/h22-25H,7-21,26-33H2,1-6H3/p+2