2-[[3-chloranyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C19H26ClFN2O2+2 MolecularWeight: 368.873343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClFN2O2/c1-23(2)9-8-22-12-15-10-17(20)19(18(11-15)24-3)25-13-14-4-6-16(21)7-5-14/h4-7,10-11,22H,8-9,12-13H2,1-3H3/p+2