1-[5-chloranyl-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[5-chloranyl-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[5-chloro-2-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[5-chloro-2-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[5-chloro-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[5-chloro-2-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H22ClN3O2S/c21-15-5-6-17(18(13-15)24-7-1-4-19(24)25)20(26)23-10-8-22(9-11-23)14-16-3-2-12-27-16/h2-3,5-6,12-13H,1,4,7-11,14H2/p+1