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

Systemtic Name: 8-[(2-methylpiperidin-1-ium-1-yl)methyl]-6-[(2-methylpiperidin-1-yl)methyl]-5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-olate Openeye Name: 5-hydroxy-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-6-[(2-methyl-1-piperidyl)methyl]-4-oxo-2-phenyl-chromen-7-olate CAS Name: 5-hydroxy-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-6-[(2-methyl-1-piperidinyl)methyl]-4-oxo-2-phenyl-1-benzopyran-7-olate IUPAC Name: 5-hydroxy-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-6-[(2-methylpiperidin-1-yl)methyl]-4-oxo-2-phenylchromen-7-olate Traditional Name: 5-hydroxy-4-keto-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-6-[(2-methylpiperidino)methyl]-2-phenyl-chromen-7-olate Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)CN5CCCCC5C)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)CN5CCCCC5C)[O-]

InChI

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