2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(4-butyl-2-oxo-chromen-7-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(4-butyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(4-butyl-2-keto-chromen-7-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C21H29N2O5+ MolecularWeight: 389.46536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H28N2O5/c1-2-3-4-16-13-21(25)28-19-14-17(5-6-18(16)19)27-15-20(24)22-7-8-23-9-11-26-12-10-23/h5-6,13-14H,2-4,7-12,15H2,1H3,(H,22,24)/p+1