N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN(C[C@@H]1COC2=CC=CC=C2O1)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H25N3O4S/c1-22(14-16-15-26-18-7-3-4-8-19(18)27-16)20-10-9-17(13-21-20)28(24,25)23-11-5-2-6-12-23/h3-4,7-10,13,16H,2,5-6,11-12,14-15H2,1H3/p+1/t16-/m1/s1