(2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(4-morpholinosulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[4-(4-morpholinylsulfonyl)phenyl]-2-(4-propyl-1-pyridin-1-iumyl)propanamide IUPAC Name: (2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(4-morpholinosulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)propionamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-3-4-18-9-11-23(12-10-18)17(2)21(25)22-19-5-7-20(8-6-19)29(26,27)24-13-15-28-16-14-24/h5-12,17H,3-4,13-16H2,1-2H3/p+1/t17-/m1/s1