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

Systemtic Name: dibutyl-[3-[[3-chloranyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[3-chloro-5-methoxy-4-(p-tolylmethoxy)phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[3-chloro-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]propyl]ammonium Formula: C27H43ClN2O2+2 MolecularWeight: 463.09552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41ClN2O2/c1-5-7-15-30(16-8-6-2)17-9-14-29-20-24-18-25(28)27(26(19-24)31-4)32-21-23-12-10-22(3)11-13-23/h10-13,18-19,29H,5-9,14-17,20-21H2,1-4H3/p+2