(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (2-keto-7-methoxy-chromen-4-yl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H22N2O4/c1-22-21(25)15-6-4-14(5-7-15)12-23(2)13-16-10-20(24)27-19-11-17(26-3)8-9-18(16)19/h4-11H,12-13H2,1-3H3,(H,22,25)/p+1