N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]quinoline-2-carboxamide

Systemtic Name: N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]quinoline-2-carboxamide Openeye Name: N-[(2R)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]quinoline-2-carboxamide CAS Name: N-[(2R)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-2-quinolinecarboxamide IUPAC Name: N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]quinoline-2-carboxamide Traditional Name: N-[(2R)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]quinaldamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=NC3=CC=CC=C3C=C2)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)[C@@H](CNC(=O)C2=NC3=CC=CC=C3C=C2)[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O3/c1-15-6-9-20(27-15)19(24-10-12-26-13-11-24)14-22-21(25)18-8-7-16-4-2-3-5-17(16)23-18/h2-9,19H,10-14H2,1H3,(H,22,25)/p+1/t19-/m1/s1