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

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium Formula: C23H33BrNO2+ MolecularWeight: 435.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)[NH2+]CC4=CC(=C(C(=C4)Br)OCC=C)OC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=CC(=C(C(=C4)Br)OCC=C)OC)C

InChI

InChI=1S/C23H32BrNO2/c1-5-6-27-20-18(24)7-16(8-19(20)26-4)12-25-23-11-17-9-21(2,14-23)13-22(3,10-17)15-23/h5,7-8,17,25H,1,6,9-15H2,2-4H3/p+1/t17?,21-,22+,23?