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

Systemtic Name: 4-methyl-2-oxidanylidene-3-(phenylmethyl)-8-[(pyridin-3-ylazaniumyl)methyl]chromen-7-olate Openeye Name: 3-benzyl-4-methyl-2-oxo-8-[(3-pyridylammonio)methyl]chromen-7-olate CAS Name: 4-methyl-2-oxo-3-(phenylmethyl)-8-[(3-pyridinylammonio)methyl]-1-benzopyran-7-olate IUPAC Name: 3-benzyl-4-methyl-2-oxo-8-[(pyridin-3-ylazaniumyl)methyl]chromen-7-olate Traditional Name: 3-benzyl-2-keto-4-methyl-8-[(3-pyridylammonio)methyl]chromen-7-olate Formula: C23H20N2O3 MolecularWeight: 372.4165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3=CN=CC=C3)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3=CN=CC=C3)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H20N2O3/c1-15-18-9-10-21(26)20(14-25-17-8-5-11-24-13-17)22(18)28-23(27)19(15)12-16-6-3-2-4-7-16/h2-11,13,25-26H,12,14H2,1H3