N-ethyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-ethyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethyl-N-(2-thienylmethyl)acetamide CAS Name: N-ethyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethyl-N-(2-thenyl)acetamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3S2/c1-2-22(15-19-9-6-14-27-19)20(24)16-21-10-12-23(13-11-21)28(25,26)17-18-7-4-3-5-8-18/h3-9,14H,2,10-13,15-17H2,1H3/p+1