2-[(2R)-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R)-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-1-methyl-ethyl]isoindoline-1,3-quinone Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC=CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H25N3O3/c1-18(27-23(29)20-11-5-6-12-21(20)24(27)30)22(28)26-16-14-25(15-17-26)13-7-10-19-8-3-2-4-9-19/h2-12,18H,13-17H2,1H3/p+1/b10-7+/t18-/m1/s1