2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H27N3O5S/c1-27(23,24)21(15-5-6-16-17(13-15)26-12-11-25-16)14-18(22)19-7-4-10-20-8-2-3-9-20/h5-6,13H,2-4,7-12,14H2,1H3,(H,19,22)/p+1