1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)isonipecotamide Formula: C23H36N3O5S+ MolecularWeight: 466.61404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)[NH+]4CCCCC4

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)[NH+]4CCCCC4

InChI

InChI=1S/C23H35N3O5S/c1-23(2,25-10-4-3-5-11-25)17-24-22(27)18-8-12-26(13-9-18)32(28,29)19-6-7-20-21(16-19)31-15-14-30-20/h6-7,16,18H,3-5,8-15,17H2,1-2H3,(H,24,27)/p+1