N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-oxo-chromene-3-carboxamide CAS Name: N-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-2-oxochromene-3-carboxamide Traditional Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-keto-chromene-3-carboxamide Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C1=CC2=CC=CC=C2OC1=O)[NH+]3CCOCC3

Isomeric SMILES

CCC(CC)[C@H](CNC(=O)C1=CC2=CC=CC=C2OC1=O)[NH+]3CCOCC3

InChI

InChI=1S/C21H28N2O4/c1-3-15(4-2)18(23-9-11-26-12-10-23)14-22-20(24)17-13-16-7-5-6-8-19(16)27-21(17)25/h5-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H,22,24)/p+1/t18-/m0/s1