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

Systemtic Name: dibutyl-[3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[2-[(2-fluorophenyl)methoxy]-1-naphthyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[2-[(2-fluorophenyl)methoxy]-1-naphthalenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[2-(2-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=CC=C3F

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=C(C=CC2=CC=CC=C21)OCC3=CC=CC=C3F

InChI

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