1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]phenyl]-2-pyrrolidone Formula: C24H27N4O2S+ MolecularWeight: 435.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H26N4O2S/c29-23-6-3-11-28(23)19-9-7-18(8-10-19)16-24(30)27-14-12-26(13-15-27)17-22-25-20-4-1-2-5-21(20)31-22/h1-2,4-5,7-10H,3,6,11-17H2/p+1