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1-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]piperidin-1-ium

1-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]piperidin-1-ium

Systemtic Name:1-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]piperidin-1-ium
Openeye Name:1-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methyl]piperidin-1-ium
CAS Name:1-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]piperidin-1-ium
IUPAC Name:1-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]piperidin-1-ium
Traditional Name:1-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methyl]piperidin-1-ium
Formula: C23H34N+
MolecularWeight: 324.52276
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C[NH+]5CCCCC5


Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C[NH+]5CCCCC5


InChI

InChI=1S/C23H33N/c1-18-5-7-21(8-6-18)23-14-19-11-20(15-23)13-22(12-19,16-23)17-24-9-3-2-4-10-24/h5-8,19-20H,2-4,9-17H2,1H3/p+1/t19-,20+,22?,23?


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