2-[(5S,7R)-3-oxidanyl-1-adamantyl]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(5S,7R)-3-oxidanyl-1-adamantyl]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H31N3O2/c26-20(14-21-10-18-9-19(11-21)13-22(27,12-18)16-21)25-7-5-24(6-8-25)15-17-1-3-23-4-2-17/h1-4,18-19,27H,5-16H2/p+1/t18-,19+,21?,22?