1-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c24-19-7-2-8-23(19)17-5-1-4-16(14-17)20(25)22-11-9-21(10-12-22)15-18-6-3-13-26-18/h1,3-6,13-14H,2,7-12,15H2/p+1