(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-cyclopentyl-azanium

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-cyclopentyl-azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-cyclopentyl-ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-cyclopentylammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-cyclopentylazanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-cyclopentyl-ammonium Formula: C20H25BrNO2+ MolecularWeight: 391.322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]C2CCCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]C2CCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24BrNO2/c1-23-19-12-17(21)11-16(13-22-18-9-5-6-10-18)20(19)24-14-15-7-3-2-4-8-15/h2-4,7-8,11-12,18,22H,5-6,9-10,13-14H2,1H3/p+1