dibutyl-[3-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[4-(2-fluorobenzyl)oxy-3-methoxy-benzyl]ammonio]propyl]ammonium Formula: C26H41FN2O2+2 MolecularWeight: 432.614343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2F)OC

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2F)OC

InChI

InChI=1S/C26H39FN2O2/c1-4-6-16-29(17-7-5-2)18-10-15-28-20-22-13-14-25(26(19-22)30-3)31-21-23-11-8-9-12-24(23)27/h8-9,11-14,19,28H,4-7,10,15-18,20-21H2,1-3H3/p+2