[3-chloranyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-cycloheptyl-azanium

Systemtic Name: [3-chloranyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-cycloheptyl-azanium Openeye Name: [3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-cycloheptyl-ammonium CAS Name: [3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-cycloheptylammonium IUPAC Name: [3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-cycloheptylazanium Traditional Name: [3-chloro-4-(2-chlorobenzyl)oxy-5-methoxy-benzyl]-cycloheptyl-ammonium Formula: C22H28Cl2NO2+ MolecularWeight: 409.36922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Cl)OCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Cl)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H27Cl2NO2/c1-26-21-13-16(14-25-18-9-4-2-3-5-10-18)12-20(24)22(21)27-15-17-8-6-7-11-19(17)23/h6-8,11-13,18,25H,2-5,9-10,14-15H2,1H3/p+1