N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-(4-propyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H27N3O4S/c1-3-4-18-7-9-23(10-8-18)16-21(25)22-20-15-19(6-5-17(20)2)29(26,27)24-11-13-28-14-12-24/h5-10,15H,3-4,11-14,16H2,1-2H3/p+1