[3-chloranyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(2-diethylaminoethyl)azanium

Systemtic Name: [3-chloranyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(2-diethylaminoethyl)azanium Openeye Name: [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(2-diethylaminoethyl)ammonium CAS Name: [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(2-diethylaminoethyl)ammonium IUPAC Name: [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(2-diethylaminoethyl)azanium Traditional Name: [3-chloro-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]-(2-diethylaminoethyl)ammonium Formula: C21H29ClFN2O2+ MolecularWeight: 395.918563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2F)OC

Isomeric SMILES

CCN(CC)CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2F)OC

InChI

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