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1-adamantyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

1-adamantyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

Systemtic Name:1-adamantyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
Openeye Name:1-adamantyl-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium
CAS Name:1-adamantyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium
IUPAC Name:1-adamantyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
Traditional Name:1-adamantyl-[3-ethoxy-4-(2-thenyloxy)benzyl]ammonium
Formula: C24H32NO2S+
MolecularWeight: 398.58138
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=CC=CS5


Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=CC=CS5


InChI

InChI=1S/C24H31NO2S/c1-2-26-23-11-17(5-6-22(23)27-16-21-4-3-7-28-21)15-25-24-12-18-8-19(13-24)10-20(9-18)14-24/h3-7,11,18-20,25H,2,8-10,12-16H2,1H3/p+1


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