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

Systemtic Name: (3R)-3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(1-adamantyl)-1-piperazin-4-iumyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H35N3O3/c1-2-32-22-5-3-21(4-6-22)29-24(30)14-23(25(29)31)27-7-9-28(10-8-27)26-15-18-11-19(16-26)13-20(12-18)17-26/h3-6,18-20,23H,2,7-17H2,1H3/p+1/t18?,19?,20?,23-,26?/m1/s1