N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-[4-(3-nitrophenyl)-2-thiazolyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide Formula: C21H27N6O4S+ MolecularWeight: 459.54188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O4S/c28-19(13-24-8-10-25(11-9-24)14-20(29)26-6-1-2-7-26)23-21-22-18(15-32-21)16-4-3-5-17(12-16)27(30)31/h3-5,12,15H,1-2,6-11,13-14H2,(H,22,23,28)/p+1