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

Systemtic Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone Openeye Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-(4-p-anisylpiperazin-4-ium-1-yl)ethanone Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C24H34N2O3/c1-29-21-4-2-18(3-5-21)16-25-6-8-26(9-7-25)22(27)15-23-11-19-10-20(12-23)14-24(28,13-19)17-23/h2-5,19-20,28H,6-17H2,1H3/p+1/t19-,20+,23?,24?