N-hexyl-N-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide

Systemtic Name: N-hexyl-N-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide Openeye Name: N-hexyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide CAS Name: N-hexyl-N-[3-oxo-3-[2-(1-piperidin-1-iumyl)ethylamino]propyl]-3-furancarboxamide IUPAC Name: N-hexyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide Traditional Name: N-hexyl-N-[3-keto-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-3-furamide Formula: C21H36N3O3+ MolecularWeight: 378.52884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCC(=O)NCC[NH+]1CCCCC1)C(=O)C2=COC=C2

Isomeric SMILES

CCCCCCN(CCC(=O)NCC[NH+]1CCCCC1)C(=O)C2=COC=C2

InChI

InChI=1S/C21H35N3O3/c1-2-3-4-8-14-24(21(26)19-10-17-27-18-19)15-9-20(25)22-11-16-23-12-6-5-7-13-23/h10,17-18H,2-9,11-16H2,1H3,(H,22,25)/p+1