(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-phenethyl-azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-phenethyl-azanium Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-phenethyl-ammonium CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-phenethylammonium IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-phenethylazanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-phenethyl-ammonium Formula: C23H25ClNO2+ MolecularWeight: 382.9031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C23H24ClNO2/c1-26-22-15-20(16-25-13-12-18-8-4-2-5-9-18)14-21(24)23(22)27-17-19-10-6-3-7-11-19/h2-11,14-15,25H,12-13,16-17H2,1H3/p+1