N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H23N3O5S/c1-21(14-15-2-4-17-18(12-15)27-11-10-26-17)19-5-3-16(13-20-19)28(23,24)22-6-8-25-9-7-22/h2-5,12-13H,6-11,14H2,1H3/p+1