6-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C22H24N3O4S+ MolecularWeight: 426.50866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NC[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O4S/c1-2-25(17-8-4-3-5-9-17)30(26,27)19-12-13-22(24-15-19)23-14-18-16-28-20-10-6-7-11-21(20)29-18/h3-13,15,18H,2,14,16H2,1H3,(H,23,24)/p+1/t18-/m1/s1