N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-keto-1H-quinoline-4-carboxamide Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=O)NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2=CC(=O)NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C20H21N3O3/c24-19-12-15(14-6-1-2-7-16(14)22-19)20(25)21-13-17(18-8-5-11-26-18)23-9-3-4-10-23/h1-2,5-8,11-12,17H,3-4,9-10,13H2,(H,21,25)(H,22,24)/p+1/t17-/m1/s1