3-(4-methoxyphenyl)-8-[(3-morpholin-4-ylpropylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(4-methoxyphenyl)-8-[(3-morpholin-4-ylpropylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-8-[(3-morpholinopropylammonio)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-8-[[3-(4-morpholinyl)propylammonio]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-8-[(3-morpholin-4-ylpropylazaniumyl)methyl]-2-oxochromen-7-olate Traditional Name: 2-keto-3-(4-methoxyphenyl)-8-[(3-morpholinopropylammonio)methyl]chromen-7-olate Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(C(=C(C=C3)[O-])C[NH2+]CCCN4CCOCC4)OC2=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C(=C(C=C3)[O-])C[NH2+]CCCN4CCOCC4)OC2=O

InChI

InChI=1S/C24H28N2O5/c1-29-19-6-3-17(4-7-19)20-15-18-5-8-22(27)21(23(18)31-24(20)28)16-25-9-2-10-26-11-13-30-14-12-26/h3-8,15,25,27H,2,9-14,16H2,1H3