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

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-cyclohexyl-azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-cyclohexyl-ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-cyclohexylammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-cyclohexylazanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-cyclohexyl-ammonium Formula: C21H27BrNO2+ MolecularWeight: 405.34858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]C2CCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]C2CCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26BrNO2/c1-24-20-13-18(22)12-17(14-23-19-10-6-3-7-11-19)21(20)25-15-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,19,23H,3,6-7,10-11,14-15H2,1H3/p+1