N-[6-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-chromen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[6-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-chromen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[6-chloro-4-oxo-3-(p-tolyl)chromen-2-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[6-chloro-3-(4-methylphenyl)-4-oxo-1-benzopyran-2-yl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[6-chloro-4-keto-3-(p-tolyl)chromen-2-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C22H22ClN2O4+ MolecularWeight: 413.87408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=C(C=C3)Cl)NC(=O)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=C(C=C3)Cl)NC(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C22H21ClN2O4/c1-14-2-4-15(5-3-14)20-21(27)17-12-16(23)6-7-18(17)29-22(20)24-19(26)13-25-8-10-28-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,24,26)/p+1