dibutyl-[3-[[5-chloranyl-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[[5-chloranyl-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[5-chloro-2-(p-tolylmethoxy)phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[5-chloro-2-(4-methylbenzyl)oxy-benzyl]ammonio]propyl]ammonium Formula: C26H41ClN2O+2 MolecularWeight: 433.06954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39ClN2O/c1-4-6-16-29(17-7-5-2)18-8-15-28-20-24-19-25(27)13-14-26(24)30-21-23-11-9-22(3)10-12-23/h9-14,19,28H,4-8,15-18,20-21H2,1-3H3/p+2