[3-chloranyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [3-chloranyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [3-chloro-4-(4-chlorobenzyl)oxy-5-ethoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C22H26Cl2N3O2+ MolecularWeight: 435.36674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Cl)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Cl)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25Cl2N3O2/c1-2-28-21-13-18(14-25-8-3-10-27-11-9-26-16-27)12-20(24)22(21)29-15-17-4-6-19(23)7-5-17/h4-7,9,11-13,16,25H,2-3,8,10,14-15H2,1H3/p+1