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[(1R)-1-(1-adamantyl)ethyl]-(1,3-benzodioxol-5-ylmethyl)azanium

[(1R)-1-(1-adamantyl)ethyl]-(1,3-benzodioxol-5-ylmethyl)azanium

Systemtic Name:[(1R)-1-(1-adamantyl)ethyl]-(1,3-benzodioxol-5-ylmethyl)azanium
Openeye Name:[(1R)-1-(1-adamantyl)ethyl]-(1,3-benzodioxol-5-ylmethyl)ammonium
CAS Name:[(1R)-1-(1-adamantyl)ethyl]-(1,3-benzodioxol-5-ylmethyl)ammonium
IUPAC Name:[(1R)-1-(1-adamantyl)ethyl]-(1,3-benzodioxol-5-ylmethyl)azanium
Traditional Name:[(1R)-1-(1-adamantyl)ethyl]-piperonyl-ammonium
Formula: C20H28NO2+
MolecularWeight: 314.44182
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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC5=C(C=C4)OCO5


Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC5=C(C=C4)OCO5


InChI

InChI=1S/C20H27NO2/c1-13(20-8-15-4-16(9-20)6-17(5-15)10-20)21-11-14-2-3-18-19(7-14)23-12-22-18/h2-3,7,13,15-17,21H,4-6,8-12H2,1H3/p+1/t13-,15?,16?,17?,20?/m1/s1


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