(3R)-3-[2-[4-(2-adamantyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(2-adamantyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(2-adamantyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-methyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(2-adamantyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-methyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(2-adamantyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4-methylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(2-adamantyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-4-methyl-piperazin-4-ium-2-one Formula: C21H36N4O2+2 MolecularWeight: 376.53614

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCNC(=O)C1CC(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[NH+]1CCNC(=O)[C@H]1CC(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C21H34N4O2/c1-23-3-2-22-21(27)18(23)13-19(26)24-4-6-25(7-5-24)20-16-9-14-8-15(11-16)12-17(20)10-14/h14-18,20H,2-13H2,1H3,(H,22,27)/p+2/t14?,15?,16?,17?,18-,20?/m1/s1