(4S)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H22ClN3O2S/c21-17-5-1-2-6-18(17)24-13-15(12-19(24)25)20(26)23-9-7-22(8-10-23)14-16-4-3-11-27-16/h1-6,11,15H,7-10,12-14H2/p+1/t15-/m0/s1