(2S)-2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propanamide

Systemtic Name: (2S)-2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Openeye Name: (2S)-2-(4-ethyl-8-methyl-2-oxo-chromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propanamide CAS Name: (2S)-2-[(4-ethyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-[3-(4-morpholin-4-iumyl)propyl]propanamide IUPAC Name: (2S)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Traditional Name: (2S)-2-(4-ethyl-2-keto-8-methyl-chromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propionamide Formula: C22H31N2O5+ MolecularWeight: 403.49194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C)O[C@@H](C)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H30N2O5/c1-4-17-14-20(25)29-21-15(2)19(7-6-18(17)21)28-16(3)22(26)23-8-5-9-24-10-12-27-13-11-24/h6-7,14,16H,4-5,8-13H2,1-3H3,(H,23,26)/p+1/t16-/m0/s1