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

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

Systemtic Name:1-adamantyl-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium
Openeye Name:1-adamantyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium
CAS Name:1-adamantyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium
IUPAC Name:1-adamantyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]azanium
Traditional Name:1-adamantyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium
Formula: C20H30NO2+
MolecularWeight: 316.4577
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH2+]C23CC4CC(C2)CC(C4)C3)O


Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH2+]C23CC4CC(C2)CC(C4)C3)O


InChI

InChI=1S/C20H29NO2/c1-14-3-2-4-19(5-14)23-13-18(22)12-21-20-9-15-6-16(10-20)8-17(7-15)11-20/h2-5,15-18,21-22H,6-13H2,1H3/p+1/t15?,16?,17?,18-,20?/m0/s1


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