dibutyl-[3-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]propyl]ammonium Formula: C28H46N2O2+2 MolecularWeight: 442.67704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C28H44N2O2/c1-5-8-18-30(19-9-6-2)20-10-17-29-22-26-15-16-27(28(21-26)31-7-3)32-23-25-13-11-24(4)12-14-25/h11-16,21,29H,5-10,17-20,22-23H2,1-4H3/p+2