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

Systemtic Name: (3R)-1-(4-hexoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-hexoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-hexoxyphenyl)-3-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-hexoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-hexoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C27H36N3O4+ MolecularWeight: 466.59244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H35N3O4/c1-3-4-5-6-18-34-23-12-10-21(11-13-23)30-26(31)20-25(27(30)32)29-16-14-28(15-17-29)22-8-7-9-24(19-22)33-2/h7-13,19,25H,3-6,14-18,20H2,1-2H3/p+1/t25-/m1/s1