1-[2-chloranyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[2-chloranyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[2-chloro-5-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[2-chloro-5-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[2-chloro-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[2-chloro-5-[4-(3-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)C(=O)N3CC[NH+](CC3)CC4=CSC=C4)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4)Cl

InChI

InChI=1S/C20H22ClN3O2S/c21-17-4-3-16(12-18(17)24-6-1-2-19(24)25)20(26)23-9-7-22(8-10-23)13-15-5-11-27-14-15/h3-5,11-12,14H,1-2,6-10,13H2/p+1