3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)propanamide

Systemtic Name: 3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)propanamide Openeye Name: 3-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)propanamide CAS Name: 3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-N-[2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)propanamide Traditional Name: 3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)propionamide Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCC[NH+]4CCOCC4)C

InChI

InChI=1S/C22H26N2O5/c1-14-13-28-19-12-20-18(11-17(14)19)15(2)16(22(26)29-20)3-4-21(25)23-5-6-24-7-9-27-10-8-24/h11-13H,3-10H2,1-2H3,(H,23,25)/p+1