1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-pyrrolidinosulfonyl-2-thienyl)ethanone Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O3S2/c25-20(23-14-12-22(13-15-23)17-18-6-2-1-3-7-18)16-19-8-9-21(28-19)29(26,27)24-10-4-5-11-24/h1-3,6-9H,4-5,10-17H2/p+1