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1-[4-(1-adamantyl)phenoxy]-3-(1-methylazepan-1-ium-1-yl)propan-2-ol

1-[4-(1-adamantyl)phenoxy]-3-(1-methylazepan-1-ium-1-yl)propan-2-ol

Systemtic Name:1-[4-(1-adamantyl)phenoxy]-3-(1-methylazepan-1-ium-1-yl)propan-2-ol
Openeye Name:1-[4-(1-adamantyl)phenoxy]-3-(1-methylazepan-1-ium-1-yl)propan-2-ol
CAS Name:1-[4-(1-adamantyl)phenoxy]-3-(1-methyl-1-azepan-1-iumyl)-2-propanol
IUPAC Name:1-[4-(1-adamantyl)phenoxy]-3-(1-methylazepan-1-ium-1-yl)propan-2-ol
Traditional Name:1-[4-(1-adamantyl)phenoxy]-3-(1-methylazepan-1-ium-1-yl)propan-2-ol
Formula: C26H40NO2+
MolecularWeight: 398.6013
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O


Isomeric SMILES

C[N+]1(CCCCCC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O


InChI

InChI=1S/C26H40NO2/c1-27(10-4-2-3-5-11-27)18-24(28)19-29-25-8-6-23(7-9-25)26-15-20-12-21(16-26)14-22(13-20)17-26/h6-9,20-22,24,28H,2-5,10-19H2,1H3/q+1


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