N-butyl-2,5-dimethyl-N-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide

Systemtic Name: N-butyl-2,5-dimethyl-N-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide Openeye Name: N-butyl-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide CAS Name: N-butyl-2,5-dimethyl-N-[3-oxo-3-[2-(1-piperidin-1-iumyl)ethylamino]propyl]-3-furancarboxamide IUPAC Name: N-butyl-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide Traditional Name: N-butyl-N-[3-keto-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-2,5-dimethyl-3-furamide Formula: C21H36N3O3+ MolecularWeight: 378.52884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC(=O)NCC[NH+]1CCCCC1)C(=O)C2=C(OC(=C2)C)C

Isomeric SMILES

CCCCN(CCC(=O)NCC[NH+]1CCCCC1)C(=O)C2=C(OC(=C2)C)C

InChI

InChI=1S/C21H35N3O3/c1-4-5-13-24(21(26)19-16-17(2)27-18(19)3)14-9-20(25)22-10-15-23-11-7-6-8-12-23/h16H,4-15H2,1-3H3,(H,22,25)/p+1