(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-morpholinosulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[3-(4-morpholinylsulfonyl)phenyl]-2-(4-propyl-1-pyridin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-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(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-3-5-18-8-10-23(11-9-18)17(2)21(25)22-19-6-4-7-20(16-19)29(26,27)24-12-14-28-15-13-24/h4,6-11,16-17H,3,5,12-15H2,1-2H3/p+1/t17-/m0/s1