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

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O2/c1-5-7-16-29(17-8-6-2)18-10-15-28-21-24-13-14-26(27(20-24)30-4)31-22-25-12-9-11-23(3)19-25/h9,11-14,19-20,28H,5-8,10,15-18,21-22H2,1-4H3/p+2