(2R)-2-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propanamide

Systemtic Name: (2R)-2-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Openeye Name: (2R)-2-(4,8-dimethyl-2-oxo-chromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propanamide CAS Name: (2R)-2-[(4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-N-[3-(4-morpholin-4-iumyl)propyl]propanamide IUPAC Name: (2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Traditional Name: (2R)-2-(2-keto-4,8-dimethyl-chromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propionamide Formula: C21H29N2O5+ MolecularWeight: 389.46536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)O[C@H](C)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H28N2O5/c1-14-13-19(24)28-20-15(2)18(6-5-17(14)20)27-16(3)21(25)22-7-4-8-23-9-11-26-12-10-23/h5-6,13,16H,4,7-12H2,1-3H3,(H,22,25)/p+1/t16-/m1/s1