2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanylethanamide

Systemtic Name: 2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanylethanamide Openeye Name: 2-[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide CAS Name: 2-[[2-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: 2-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: 2-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C19H26N4O3S/c20-17(24)14-27-16-6-2-1-5-15(16)19(26)23-11-9-21(10-12-23)13-18(25)22-7-3-4-8-22/h1-2,5-6H,3-4,7-14H2,(H2,20,24)/p+1