2-cyanoethyl-methyl-[(6-oxidanyl-2-oxidanylidene-7-phenyl-chromen-4-yl)methyl]azanium

Systemtic Name: 2-cyanoethyl-methyl-[(6-oxidanyl-2-oxidanylidene-7-phenyl-chromen-4-yl)methyl]azanium Openeye Name: 2-cyanoethyl-[(6-hydroxy-2-oxo-7-phenyl-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[(6-hydroxy-2-oxo-7-phenyl-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 2-cyanoethyl-[(6-hydroxy-2-oxo-7-phenylchromen-4-yl)methyl]-methylazanium Traditional Name: 2-cyanoethyl-[(6-hydroxy-2-keto-7-phenyl-chromen-4-yl)methyl]-methyl-ammonium Formula: C20H19N2O3+ MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CC1=CC(=O)OC2=CC(=C(C=C12)O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC#N)CC1=CC(=O)OC2=CC(=C(C=C12)O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-22(9-5-8-21)13-15-10-20(24)25-19-12-16(18(23)11-17(15)19)14-6-3-2-4-7-14/h2-4,6-7,10-12,23H,5,9,13H2,1H3/p+1