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

Systemtic Name: dibutyl-[3-[[3-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[3-(p-tolylmethoxy)phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[3-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[3-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[3-(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=C1)OCC2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

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