N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxo-chromene-3-carboxamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxochromene-3-carboxamide Traditional Name: 2-keto-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]chromene-3-carboxamide Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC3=CC=CC=C3OC2=O)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC3=CC=CC=C3OC2=O)[NH+]4CCCC4

InChI

InChI=1S/C21H22N2O4/c1-14-8-9-19(26-14)17(23-10-4-5-11-23)13-22-20(24)16-12-15-6-2-3-7-18(15)27-21(16)25/h2-3,6-9,12,17H,4-5,10-11,13H2,1H3,(H,22,24)/p+1/t17-/m0/s1