2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(5-methoxy-4,7-dimethyl-2-oxo-chromen-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(5-methoxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(2-keto-5-methoxy-4,7-dimethyl-chromen-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C21H29N2O5+ MolecularWeight: 389.46536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCC[NH+]3CCOCC3)C)C(=C1)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCC[NH+]3CCOCC3)C)C(=C1)OC

InChI

InChI=1S/C21H28N2O5/c1-14-11-17(26-3)20-15(2)16(21(25)28-18(20)12-14)13-19(24)22-5-4-6-23-7-9-27-10-8-23/h11-12H,4-10,13H2,1-3H3,(H,22,24)/p+1