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1-adamantyl-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]azanium

1-adamantyl-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name:1-adamantyl-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]azanium
Openeye Name:1-adamantyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]ammonium
CAS Name:1-adamantyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]ammonium
IUPAC Name:1-adamantyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]azanium
Traditional Name:1-adamantyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]ammonium
Formula: C20H27N2O2+
MolecularWeight: 327.44058
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(COC4=CC=C(C=C4)C#N)O


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]C[C@@H](COC4=CC=C(C=C4)C#N)O


InChI

InChI=1S/C20H26N2O2/c21-11-14-1-3-19(4-2-14)24-13-18(23)12-22-20-8-15-5-16(9-20)7-17(6-15)10-20/h1-4,15-18,22-23H,5-10,12-13H2/p+1/t15?,16?,17?,18-,20?/m0/s1


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