1-adamantyl-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(2-bromo-4,5-dimethoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(2-bromo-4,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(2-bromo-4,5-dimethoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(2-bromo-4,5-dimethoxy-benzyl)ammonium Formula: C19H27BrNO2+ MolecularWeight: 381.32718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OC

InChI

InChI=1S/C19H26BrNO2/c1-22-17-6-15(16(20)7-18(17)23-2)11-21-19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,12-14,21H,3-5,8-11H2,1-2H3/p+1