1-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]pyrrolidine-2,5-dione Openeye Name: 1-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]pyrrolidine-2,5-dione CAS Name: 1-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]pyrrolidine-2,5-dione IUPAC Name: 1-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione Traditional Name: 1-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]pyrrolidine-2,5-quinone Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)CCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(=O)N(C1=O)CCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H22N4O3S/c24-17(7-8-23-18(25)5-6-19(23)26)22-11-9-21(10-12-22)13-16-20-14-3-1-2-4-15(14)27-16/h1-4H,5-13H2/p+1