(3R)-3-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-1-cyclopropyl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-1-cyclopropyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-1-cyclopropyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]-1-cyclopropylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-1-cyclopropylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-1-cyclopropyl-pyrrolidine-2,5-quinone Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC1N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H31N3O3/c26-19-10-18(20(27)25(19)17-1-2-17)23-3-5-24(6-4-23)21(28)22-11-14-7-15(12-22)9-16(8-14)13-22/h14-18H,1-13H2/p+1/t14?,15?,16?,18-,22?/m1/s1