8-[(diethylazaniumyl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate

Systemtic Name: 8-[(diethylazaniumyl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-8-[(diethylammonio)methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 8-[(diethylammonio)methyl]-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-8-[(diethylazaniumyl)methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 3-benzyl-8-[(diethylammonio)methyl]-2-keto-4-methyl-chromen-7-olate Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=O)C(=C2C)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=O)C(=C2C)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H25NO3/c1-4-23(5-2)14-19-20(24)12-11-17-15(3)18(22(25)26-21(17)19)13-16-9-7-6-8-10-16/h6-12,24H,4-5,13-14H2,1-3H3