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

Systemtic Name: 2-[(5S,7R)-3-oxidanyl-1-adamantyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2/c26-21(15-22-11-19-10-20(12-22)14-23(27,13-19)17-22)25-8-6-24(7-9-25)16-18-4-2-1-3-5-18/h1-5,19-20,27H,6-17H2/p+1/t19-,20+,22?,23?