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

Systemtic Name: 2-methyl-8-[[methyl-(phenylmethyl)azaniumyl]methyl]-4-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 8-[[benzyl(methyl)ammonio]methyl]-2-methyl-4-oxo-3-phenyl-chromen-7-olate CAS Name: 2-methyl-8-[[methyl-(phenylmethyl)ammonio]methyl]-4-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 8-[[benzyl(methyl)azaniumyl]methyl]-2-methyl-4-oxo-3-phenylchromen-7-olate Traditional Name: 8-[[benzyl(methyl)ammonio]methyl]-4-keto-2-methyl-3-phenyl-chromen-7-olate Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO3/c1-17-23(19-11-7-4-8-12-19)24(28)20-13-14-22(27)21(25(20)29-17)16-26(2)15-18-9-5-3-6-10-18/h3-14,27H,15-16H2,1-2H3