dibutyl-[3-[[2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[[2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[2-(p-tolylmethoxy)phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[2-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[2-(4-methylbenzyl)oxybenzyl]ammonio]propyl]ammonium Formula: C26H42N2O+2 MolecularWeight: 398.62448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC=CC=C1OCC2=CC=C(C=C2)C

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC=CC=C1OCC2=CC=C(C=C2)C

InChI

InChI=1S/C26H40N2O/c1-4-6-18-28(19-7-5-2)20-10-17-27-21-25-11-8-9-12-26(25)29-22-24-15-13-23(3)14-16-24/h8-9,11-16,27H,4-7,10,17-22H2,1-3H3/p+2