(2S)-2-(1-adamantyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione

Systemtic Name: (2S)-2-(1-adamantyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione Openeye Name: (2S)-2-(1-adamantyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione CAS Name: (2S)-2-(1-adamantyl)-1-(4-methyl-1-piperazin-4-iumyl)-3-(4-methyl-1-piperazinyl)propane-1,3-dione IUPAC Name: (2S)-2-(1-adamantyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione Traditional Name: (2S)-2-(1-adamantyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-(4-methylpiperazino)propane-1,3-dione Formula: C23H39N4O2+ MolecularWeight: 403.58136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C(=O)N2CCN(CC2)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](C(=O)N2CCN(CC2)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H38N4O2/c1-24-3-7-26(8-4-24)21(28)20(22(29)27-9-5-25(2)6-10-27)23-14-17-11-18(15-23)13-19(12-17)16-23/h17-20H,3-16H2,1-2H3/p+1