1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(2,3-dihydrobenzofuran-6-ylsulfonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(2,3-dihydrobenzofuran-6-ylsulfonyl)-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-coumaran-6-ylsulfonyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=CC4=C(CCO4)C=C3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=CC4=C(CCO4)C=C3)C(=O)N

InChI

InChI=1S/C19H27N3O4S/c20-18(23)19(21-9-2-1-3-10-21)7-11-22(12-8-19)27(24,25)16-5-4-15-6-13-26-17(15)14-16/h4-5,14H,1-3,6-13H2,(H2,20,23)/p+1