1-adamantyl-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(4-allyloxy-3-bromo-5-methoxy-benzyl)ammonium Formula: C21H29BrNO2+ MolecularWeight: 407.36446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO2/c1-3-4-25-20-18(22)8-17(9-19(20)24-2)13-23-21-10-14-5-15(11-21)7-16(6-14)12-21/h3,8-9,14-16,23H,1,4-7,10-13H2,2H3/p+1