N-methyl-N-[2-oxidanylidene-2-(propylamino)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-(propylamino)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-keto-2-(propylamino)ethyl]-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C16H27N4O4S2+ MolecularWeight: 403.53998

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCCNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H26N4O4S2/c1-3-6-17-14(21)12-18(2)15(22)13-19-7-9-20(10-8-19)26(23,24)16-5-4-11-25-16/h4-5,11H,3,6-10,12-13H2,1-2H3,(H,17,21)/p+1