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

Systemtic Name: 2-[(5S,7R)-3-oxidanyl-1-adamantyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C21H29N3O2/c25-19(24-7-5-23(6-8-24)18-1-3-22-4-2-18)14-20-10-16-9-17(11-20)13-21(26,12-16)15-20/h1-4,16-17,26H,5-15H2/p+1/t16-,17+,20?,21?