[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(2-diethylaminoethyl)azanium

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(2-diethylaminoethyl)azanium Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-(2-diethylaminoethyl)ammonium CAS Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(2-diethylaminoethyl)ammonium IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(2-diethylaminoethyl)azanium Traditional Name: [4-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]-(2-diethylaminoethyl)ammonium Formula: C21H29ClFN2O2+ MolecularWeight: 395.918563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(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+1