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

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(4-methylpyridin-1-ium-1-yl)ethanamide chloride Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide chloride CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-(4-methyl-1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide chloride Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide chloride Formula: C18H21Cl2N3O4S MolecularWeight: 446.34804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl.[Cl-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl.[Cl-]

InChI

InChI=1S/C18H20ClN3O4S.ClH/c1-14-4-6-21(7-5-14)13-18(23)20-17-12-15(2-3-16(17)19)27(24,25)22-8-10-26-11-9-22;/h2-7,12H,8-11,13H2,1H3;1H