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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N(CCC(=O)NCC[NH+]1CCCCC1)C(=O)C2=C(OC(=C2)C)C

InChI

InChI=1S/C21H35N3O3/c1-5-16(2)24(21(26)19-15-17(3)27-18(19)4)13-9-20(25)22-10-14-23-11-7-6-8-12-23/h15-16H,5-14H2,1-4H3,(H,22,25)/p+1/t16-/m0/s1