1-adamantyl-[(3-bromanyl-4,5-diethoxy-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(3-bromanyl-4,5-diethoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(3-bromo-4,5-diethoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-bromo-4,5-diethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-bromo-4,5-diethoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(3-bromo-4,5-diethoxy-benzyl)ammonium Formula: C21H31BrNO2+ MolecularWeight: 409.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCC

InChI

InChI=1S/C21H30BrNO2/c1-3-24-19-9-17(8-18(22)20(19)25-4-2)13-23-21-10-14-5-15(11-21)7-16(6-14)12-21/h8-9,14-16,23H,3-7,10-13H2,1-2H3/p+1