N-hexyl-N-[3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-propyl]furan-3-carboxamide

Systemtic Name: N-hexyl-N-[3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-propyl]furan-3-carboxamide Openeye Name: N-hexyl-N-[3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxo-propyl]furan-3-carboxamide CAS Name: N-hexyl-N-[3-[3-(4-morpholin-4-iumyl)propylamino]-3-oxopropyl]-3-furancarboxamide IUPAC Name: N-hexyl-N-[3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide Traditional Name: N-hexyl-N-[3-keto-3-(3-morpholin-4-ium-4-ylpropylamino)propyl]-3-furamide Formula: C21H36N3O4+ MolecularWeight: 394.52824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCC(=O)NCCC[NH+]1CCOCC1)C(=O)C2=COC=C2

Isomeric SMILES

CCCCCCN(CCC(=O)NCCC[NH+]1CCOCC1)C(=O)C2=COC=C2

InChI

InChI=1S/C21H35N3O4/c1-2-3-4-5-11-24(21(26)19-8-15-28-18-19)12-7-20(25)22-9-6-10-23-13-16-27-17-14-23/h8,15,18H,2-7,9-14,16-17H2,1H3,(H,22,25)/p+1