(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-cyclopentyl-azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-cyclopentyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-cyclopentyl-ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-cyclopentylammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-cyclopentyl-ammonium Formula: C21H27BrNO2+ MolecularWeight: 405.34858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26BrNO2/c1-2-24-20-13-17(14-23-18-10-6-7-11-18)12-19(22)21(20)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,23H,2,6-7,10-11,14-15H2,1H3/p+1