1-[[3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C21H25BrN3O2S+ MolecularWeight: 463.4111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2S/c22-19-7-6-18(28-19)15-23-9-11-24(12-10-23)21(27)17-4-1-3-16(13-17)14-25-8-2-5-20(25)26/h1,3-4,6-7,13H,2,5,8-12,14-15H2/p+1