1-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione

Systemtic Name: 1-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione Openeye Name: 1-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione CAS Name: 1-[6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione IUPAC Name: 1-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione Traditional Name: 1-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-quinone Formula: C21H20N5O3S+ MolecularWeight: 422.4802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CC(=O)N(C1=O)C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C21H19N5O3S/c27-18-6-7-19(28)26(18)21-23-15-5-4-14(13-16(15)30-21)20(29)25-11-9-24(10-12-25)17-3-1-2-8-22-17/h1-5,8,13H,6-7,9-12H2/p+1