N-(1,3-benzodioxol-5-ylmethyl)-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (5-morpholinosulfonylpyridin-1-ium-2-yl)-piperonyl-amine Formula: C17H20N3O5S+ MolecularWeight: 378.4228

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O5S/c21-26(22,20-5-7-23-8-6-20)14-2-4-17(19-11-14)18-10-13-1-3-15-16(9-13)25-12-24-15/h1-4,9,11H,5-8,10,12H2,(H,18,19)/p+1