(2S)-2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)O[C@@H](C)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C22H30N2O5/c1-4-5-17-14-20(25)29-19-13-15(2)12-18(21(17)19)28-16(3)22(26)23-6-7-24-8-10-27-11-9-24/h12-14,16H,4-11H2,1-3H3,(H,23,26)/p+1/t16-/m0/s1