N-ethyl-2-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-ethyl-2-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-ethyl-2-[[2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-ethyl-2-[[1-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]ethyl]amino]acetamide IUPAC Name: N-ethyl-2-[[2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-ethyl-2-[[2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C20H30N4O4S/c1-2-21-19(25)14-22-20(26)15-23-9-11-24(12-10-23)29(27,28)18-8-7-16-5-3-4-6-17(16)13-18/h7-8,13H,2-6,9-12,14-15H2,1H3,(H,21,25)(H,22,26)/p+1