N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanamide

Systemtic Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanamide Openeye Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-[methyl(2-thienylsulfonyl)amino]acetamide CAS Name: N-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide IUPAC Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide Traditional Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-[methyl(2-thienylsulfonyl)amino]acetamide Formula: C18H32N3O4S2+ MolecularWeight: 418.59438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)CN(C)S(=O)(=O)C1=CC=CS1)[NH+]2CCOCC2

Isomeric SMILES

CCC(CC)[C@H](CNC(=O)CN(C)S(=O)(=O)C1=CC=CS1)[NH+]2CCOCC2

InChI

InChI=1S/C18H31N3O4S2/c1-4-15(5-2)16(21-8-10-25-11-9-21)13-19-17(22)14-20(3)27(23,24)18-7-6-12-26-18/h6-7,12,15-16H,4-5,8-11,13-14H2,1-3H3,(H,19,22)/p+1/t16-/m0/s1