1-[[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C21H24ClN3O2S/c22-19-8-7-18(28-19)15-23-10-12-24(13-11-23)21(27)17-5-3-16(4-6-17)14-25-9-1-2-20(25)26/h3-8H,1-2,9-15H2/p+1