1-[4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one CAS Name: 1-[4-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]-2-pyrrolidone Formula: C23H26N3O3S2+ MolecularWeight: 456.60084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC5=CC=CC=C54

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC5=CC=CC=C54

InChI

InChI=1S/C23H25N3O3S2/c27-23-6-3-11-26(23)19-7-9-20(10-8-19)31(28,29)25-14-12-24(13-15-25)16-18-17-30-22-5-2-1-4-21(18)22/h1-2,4-5,7-10,17H,3,6,11-16H2/p+1