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(4-bromophenyl)methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium

(4-bromophenyl)methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium

Systemtic Name:(4-bromophenyl)methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium
Openeye Name:(4-bromophenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium
CAS Name:(4-bromophenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium
IUPAC Name:(4-bromophenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]azanium
Traditional Name:(4-bromobenzyl)-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium
Formula: C17H23BrNO+
MolecularWeight: 337.27462
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)[NH2+]CC4=CC=C(C=C4)Br


Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)[NH2+]CC4=CC=C(C=C4)Br


InChI

InChI=1S/C17H22BrNO/c18-15-3-1-12(2-4-15)10-19-16-6-13-5-14(7-16)9-17(20,8-13)11-16/h1-4,13-14,19-20H,5-11H2/p+1/t13-,14+,16?,17?


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