6,8-bis[(4-methylpiperidin-1-ium-1-yl)methyl]-5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-olate

Systemtic Name: 6,8-bis[(4-methylpiperidin-1-ium-1-yl)methyl]-5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-olate Openeye Name: 5-hydroxy-6,8-bis[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-phenyl-chromen-7-olate CAS Name: 5-hydroxy-6,8-bis[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-2-phenyl-1-benzopyran-7-olate IUPAC Name: 5-hydroxy-6,8-bis[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-2-phenylchromen-7-olate Traditional Name: 5-hydroxy-4-keto-6,8-bis[(4-methylpiperidin-1-ium-1-yl)methyl]-2-phenyl-chromen-7-olate Formula: C29H37N2O4+ MolecularWeight: 477.61508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C3=C(C(=C2[O-])C[NH+]4CCC(CC4)C)OC(=CC3=O)C5=CC=CC=C5)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C3=C(C(=C2[O-])C[NH+]4CCC(CC4)C)OC(=CC3=O)C5=CC=CC=C5)O

InChI

InChI=1S/C29H36N2O4/c1-19-8-12-30(13-9-19)17-22-27(33)23(18-31-14-10-20(2)11-15-31)29-26(28(22)34)24(32)16-25(35-29)21-6-4-3-5-7-21/h3-7,16,19-20,33-34H,8-15,17-18H2,1-2H3/p+1