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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)piperazine-1-carboxamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperazine-1-carboxamide Formula: C22H35N4O5S+ MolecularWeight: 467.6021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)[NH+]4CCCCC4

Isomeric SMILES

CC(C)(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)[NH+]4CCCCC4

InChI

InChI=1S/C22H34N4O5S/c1-22(2,25-8-4-3-5-9-25)17-23-21(27)24-10-12-26(13-11-24)32(28,29)18-6-7-19-20(16-18)31-15-14-30-19/h6-7,16H,3-5,8-15,17H2,1-2H3,(H,23,27)/p+1