1-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-3-ketophthalan-1-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C19H27N3O3+2 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)C3C4=CC=CC=C4C(=O)O3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)[C@H]3C4=CC=CC=C4C(=O)O3)C(=O)N

InChI

InChI=1S/C19H25N3O3/c20-18(24)19(22-10-4-1-5-11-22)8-12-21(13-9-19)16-14-6-2-3-7-15(14)17(23)25-16/h2-3,6-7,16H,1,4-5,8-13H2,(H2,20,24)/p+2/t16-/m1/s1