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

Systemtic Name: (3S)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-thienylmethyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(4-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=C(C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c23-15-5-3-14(4-6-15)20-7-9-21(10-8-20)17-12-18(24)22(19(17)25)13-16-2-1-11-26-16/h1-6,11,17,23H,7-10,12-13H2/p+1/t17-/m0/s1