(3-bromanyl-2-oxidanyl-6,7,8,9-tetrahydrodibenzofuran-1-yl)methyl-(phenylmethyl)azanium

Systemtic Name: (3-bromanyl-2-oxidanyl-6,7,8,9-tetrahydrodibenzofuran-1-yl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methyl]ammonium CAS Name: (3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methyl]azanium Traditional Name: benzyl-[(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methyl]ammonium Formula: C20H21BrNO2+ MolecularWeight: 387.29024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(C(=C(C=C3O2)Br)O)C[NH2+]CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C3=C(C(=C(C=C3O2)Br)O)C[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C20H20BrNO2/c21-16-10-18-19(14-8-4-5-9-17(14)24-18)15(20(16)23)12-22-11-13-6-2-1-3-7-13/h1-3,6-7,10,22-23H,4-5,8-9,11-12H2/p+1