1-(4-methylpiperazin-4-ium-1-yl)-2-[(5R,7S)-3-phenyl-1-adamantyl]ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[(5R,7S)-3-phenyl-1-adamantyl]ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[(5R,7S)-3-phenyl-1-adamantyl]ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[(5R,7S)-3-phenyl-1-adamantyl]ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[(5R,7S)-3-phenyl-1-adamantyl]ethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[(5R,7S)-3-phenyl-1-adamantyl]ethanone Formula: C23H33N2O+ MolecularWeight: 353.52092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CC23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C23H32N2O/c1-24-7-9-25(10-8-24)21(26)16-22-12-18-11-19(13-22)15-23(14-18,17-22)20-5-3-2-4-6-20/h2-6,18-19H,7-17H2,1H3/p+1/t18-,19+,22?,23?