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

Systemtic Name: 3-[[2-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[2-(4-fluorobenzyl)oxy-3-methoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C20H29FN2O2+2 MolecularWeight: 348.454863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27FN2O2/c1-23(2)13-5-12-22-14-17-6-4-7-19(24-3)20(17)25-15-16-8-10-18(21)11-9-16/h4,6-11,22H,5,12-15H2,1-3H3/p+2