2-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[[4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methylammonio]ethyl-diethyl-ammonium CAS Name: 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylammonio]ethyl-diethylammonium IUPAC Name: 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]ethyl-diethylazanium Traditional Name: 2-[[4-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]ammonio]ethyl-diethyl-ammonium Formula: C21H30ClFN2O2+2 MolecularWeight: 396.926503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClFN2O2/c1-4-25(5-2)11-10-24-14-16-6-9-20(21(12-16)26-3)27-15-17-7-8-18(23)13-19(17)22/h6-9,12-13,24H,4-5,10-11,14-15H2,1-3H3/p+2