2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide Formula: C14H28N5O4S+ MolecularWeight: 362.46822

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H27N5O4S/c1-15-14(21)16-13(20)12-17-8-10-19(11-9-17)24(22,23)18-6-4-2-3-5-7-18/h2-12H2,1H3,(H2,15,16,20,21)/p+1