(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-butyramide Formula: C21H34N3O5S+ MolecularWeight: 440.57676

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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=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CC[NH+](CC1)C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H33N3O5S/c1-14(2)20(21(25)22-16-7-9-24(10-8-16)15(3)4)23-30(26,27)17-5-6-18-19(13-17)29-12-11-28-18/h5-6,13-16,20,23H,7-12H2,1-4H3,(H,22,25)/p+1/t20-/m0/s1