N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C17H27N2O4S+ MolecularWeight: 355.47228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H26N2O4S/c1-13(2)19-7-5-14(6-8-19)12-18-24(20,21)15-3-4-16-17(11-15)23-10-9-22-16/h3-4,11,13-14,18H,5-10,12H2,1-2H3/p+1