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

Systemtic Name: (3R)-3-[4-(2-phenylethanoyl)piperazin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(1-oxo-2-phenylethyl)-1-piperazin-1-iumyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c1-2-16-32-21-10-8-20(9-11-21)28-24(30)18-22(25(28)31)26-12-14-27(15-13-26)23(29)17-19-6-4-3-5-7-19/h3-11,22H,2,12-18H2,1H3/p+1/t22-/m1/s1