[2-[2-[2-[dimethyl-[(3-octylphenyl)methyl]azaniumyl]ethanoylamino]ethylamino]-2-oxidanylidene-ethyl]-dimethyl-[(4-octylphenyl)methyl]azanium

Systemtic Name: [2-[2-[2-[dimethyl-[(3-octylphenyl)methyl]azaniumyl]ethanoylamino]ethylamino]-2-oxidanylidene-ethyl]-dimethyl-[(4-octylphenyl)methyl]azanium Openeye Name: [2-[2-[[2-[dimethyl-[(3-octylphenyl)methyl]ammonio]acetyl]amino]ethylamino]-2-oxo-ethyl]-dimethyl-[(4-octylphenyl)methyl]ammonium CAS Name: [2-[2-[[2-[dimethyl-[(3-octylphenyl)methyl]ammonio]-1-oxoethyl]amino]ethylamino]-2-oxoethyl]-dimethyl-[(4-octylphenyl)methyl]ammonium IUPAC Name: [2-[2-[[2-[dimethyl-[(3-octylphenyl)methyl]azaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethyl-[(4-octylphenyl)methyl]azanium Traditional Name: [2-[2-[[2-[dimethyl-(3-octylbenzyl)ammonio]acetyl]amino]ethylamino]-2-keto-ethyl]-dimethyl-(4-octylbenzyl)ammonium Formula: C40H68N4O2+2 MolecularWeight: 636.99352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C[N+](C)(C)CC(=O)NCCNC(=O)C[N+](C)(C)CC2=CC=CC(=C2)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C[N+](C)(C)CC(=O)NCCNC(=O)C[N+](C)(C)CC2=CC=CC(=C2)CCCCCCCC

InChI

InChI=1S/C40H66N4O2/c1-7-9-11-13-15-17-20-35-24-26-37(27-25-35)31-43(3,4)33-39(45)41-28-29-42-40(46)34-44(5,6)32-38-23-19-22-36(30-38)21-18-16-14-12-10-8-2/h19,22-27,30H,7-18,20-21,28-29,31-34H2,1-6H3/p+2