3-(1,3-benzodioxol-5-yloxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzodioxol-5-yloxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzodioxol-5-yloxy)-N-(1-benzylpiperidin-1-ium-4-yl)propane-1-sulfonamide CAS Name: 3-(1,3-benzodioxol-5-yloxy)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzodioxol-5-yloxy)-N-(1-benzylpiperidin-1-ium-4-yl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzodioxol-5-yloxy)-N-(1-benzylpiperidin-1-ium-4-yl)propane-1-sulfonamide Formula: C22H29N2O5S+ MolecularWeight: 433.54106

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)CCCOC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)CCCOC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N2O5S/c25-30(26,14-4-13-27-20-7-8-21-22(15-20)29-17-28-21)23-19-9-11-24(12-10-19)16-18-5-2-1-3-6-18/h1-3,5-8,15,19,23H,4,9-14,16-17H2/p+1