(3S)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-benzyl-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-benzyl-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-benzyl-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C21H23N3O3/c25-19-9-5-4-8-17(19)22-10-12-23(13-11-22)18-14-20(26)24(21(18)27)15-16-6-2-1-3-7-16/h1-9,18,25H,10-15H2/p+1/t18-/m0/s1