N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N2O4S/c23-27(24,18-6-7-19-20(14-18)26-13-12-25-19)21-17-8-10-22(11-9-17)15-16-4-2-1-3-5-16/h1-7,14,17,21H,8-13,15H2/p+1