N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C17H25ClN3O4S+ MolecularWeight: 402.9161

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C17H24ClN3O4S/c18-15-5-4-14(26(23,24)21-8-10-25-11-9-21)12-16(15)19-17(22)13-20-6-2-1-3-7-20/h4-5,12H,1-3,6-11,13H2,(H,19,22)/p+1