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

Systemtic Name: (3R)-3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(1-adamantyl)-1-piperazin-4-iumyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N3O3/c1-31-21-4-2-20(3-5-21)28-23(29)13-22(24(28)30)26-6-8-27(9-7-26)25-14-17-10-18(15-25)12-19(11-17)16-25/h2-5,17-19,22H,6-16H2,1H3/p+1/t17?,18?,19?,22-,25?/m1/s1