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

Systemtic Name: (3S)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-thienylmethyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-thenyl)pyrrolidine-2,5-quinone Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CC3=CC=CS3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)CC3=CC=CS3)C4=CC=CC=C4O

InChI

InChI=1S/C19H21N3O3S/c23-17-6-2-1-5-15(17)20-7-9-21(10-8-20)16-12-18(24)22(19(16)25)13-14-4-3-11-26-14/h1-6,11,16,23H,7-10,12-13H2/p+1/t16-/m0/s1