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

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-ethyl-azanium Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-ethyl-ammonium CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-ethylammonium IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-ethylazanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-ethyl-ammonium Formula: C17H21ClNO2+ MolecularWeight: 306.80714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C17H20ClNO2/c1-3-19-11-14-9-15(18)17(16(10-14)20-2)21-12-13-7-5-4-6-8-13/h4-10,19H,3,11-12H2,1-2H3/p+1