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

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]azanium Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]azanium Traditional Name: (3-bromo-4-ethoxy-5-methoxy-benzyl)-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium Formula: C22H33BrNO2+ MolecularWeight: 423.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C[NH2+]C23CC4CC(C2)(CC(C4)(C3)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C[NH2+]C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)OC

InChI

InChI=1S/C22H32BrNO2/c1-5-26-19-17(23)6-15(7-18(19)25-4)11-24-22-10-16-8-20(2,13-22)12-21(3,9-16)14-22/h6-7,16,24H,5,8-14H2,1-4H3/p+1/t16?,20-,21+,22?