2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(4-butyl-7-methyl-2-oxo-chromen-5-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[(4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(4-butyl-2-keto-7-methyl-chromen-5-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C22H31N2O5+ MolecularWeight: 403.49194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-3-4-5-17-14-21(26)29-19-13-16(2)12-18(22(17)19)28-15-20(25)23-6-7-24-8-10-27-11-9-24/h12-14H,3-11,15H2,1-2H3,(H,23,25)/p+1