(2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(3-morpholinosulfonylphenyl)propanamide CAS Name: (2R)-2-(2,3-dimethyl-1-pyridin-1-iumyl)-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(3-morpholinosulfonylphenyl)propionamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([N+](=CC=C1)[C@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C20H25N3O4S/c1-15-6-5-9-23(16(15)2)17(3)20(24)21-18-7-4-8-19(14-18)28(25,26)22-10-12-27-13-11-22/h4-9,14,17H,10-13H2,1-3H3/p+1/t17-/m1/s1