(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C20H25BrNO3+ MolecularWeight: 407.3214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2CCCO2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C[C@H]2CCCO2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24BrNO3/c1-23-19-11-16(12-22-13-17-8-5-9-24-17)10-18(21)20(19)25-14-15-6-3-2-4-7-15/h2-4,6-7,10-11,17,22H,5,8-9,12-14H2,1H3/p+1/t17-/m1/s1