(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2/c1-2-27-21-14-19(15-24-9-6-11-26-12-10-25-17-26)13-20(23)22(21)28-16-18-7-4-3-5-8-18/h3-5,7-8,10,12-14,17,24H,2,6,9,11,15-16H2,1H3/p+1