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

Systemtic Name: dibutyl-[3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[3-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]propyl]ammonium Formula: C27H44N2O2+2 MolecularWeight: 428.65046

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O2/c1-5-7-17-29(18-8-6-2)19-9-16-28-21-25-14-15-26(27(20-25)30-4)31-22-24-12-10-23(3)11-13-24/h10-15,20,28H,5-9,16-19,21-22H2,1-4H3/p+2