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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-15-17-5-7-19(27-3)16(2)21(17)29-22(26)18(15)6-8-20(25)23-9-4-10-24-11-13-28-14-12-24/h5,7H,4,6,8-14H2,1-3H3,(H,23,25)/p+1