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

Systemtic Name: 2-adamantyl-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: 2-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+]C2C3CC4CC(C3)CC2C4)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OCC=C

InChI

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