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

Systemtic Name: 3-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[4-(2-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=CC(=C(C=C1)OCC2=CC=CC=C2F)OC

Isomeric SMILES

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

InChI

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