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

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-cyclopropyl-azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-cyclopropyl-ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-cyclopropylammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-cyclopropylazanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-cyclopropyl-ammonium Formula: C18H21BrNO2+ MolecularWeight: 363.26884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]C2CC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]C2CC2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20BrNO2/c1-21-17-10-15(19)9-14(11-20-16-7-8-16)18(17)22-12-13-5-3-2-4-6-13/h2-6,9-10,16,20H,7-8,11-12H2,1H3/p+1