4-[(2S)-butan-2-yl]-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)benzenesulfonamide

Systemtic Name: 4-[(2S)-butan-2-yl]-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)benzenesulfonamide Openeye Name: 4-[(1S)-1-methylpropyl]-N-(6-morpholinopyridin-1-ium-3-yl)benzenesulfonamide CAS Name: 4-[(2S)-butan-2-yl]-N-[6-(4-morpholinyl)-3-pyridin-1-iumyl]benzenesulfonamide IUPAC Name: 4-[(2S)-butan-2-yl]-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)benzenesulfonamide Traditional Name: 4-[(1S)-1-methylpropyl]-N-(6-morpholinopyridin-1-ium-3-yl)benzenesulfonamide Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-3-15(2)16-4-7-18(8-5-16)26(23,24)21-17-6-9-19(20-14-17)22-10-12-25-13-11-22/h4-9,14-15,21H,3,10-13H2,1-2H3/p+1/t15-/m0/s1