(2S)-3-methyl-2-(phenylsulfonylamino)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-3-methyl-2-(phenylsulfonylamino)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-3-methyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-butyramide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CC[NH+](CC1)C(C)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CC[NH+](CC1)C(C)C)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H31N3O3S/c1-14(2)18(21-26(24,25)17-8-6-5-7-9-17)19(23)20-16-10-12-22(13-11-16)15(3)4/h5-9,14-16,18,21H,10-13H2,1-4H3,(H,20,23)/p+1/t18-/m0/s1