dibutyl-[3-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[2-[(4-fluorophenyl)methoxy]-1-naphthyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[2-[(4-fluorophenyl)methoxy]-1-naphthalenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[2-(4-fluorobenzyl)oxy-1-naphthyl]methylammonio]propyl]ammonium Formula: C29H41FN2O+2 MolecularWeight: 452.647043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCC[NH2+]CC1=C(C=CC2=CC=CC=C21)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=C(C=CC2=CC=CC=C21)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C29H39FN2O/c1-3-5-19-32(20-6-4-2)21-9-18-31-22-28-27-11-8-7-10-25(27)14-17-29(28)33-23-24-12-15-26(30)16-13-24/h7-8,10-17,31H,3-6,9,18-23H2,1-2H3/p+2