5-oxidanyl-4-oxidanylidene-2-phenyl-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 5-oxidanyl-4-oxidanylidene-2-phenyl-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 5-hydroxy-4-oxo-2-phenyl-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 5-hydroxy-4-oxo-2-phenyl-6,8-bis(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 5-hydroxy-4-oxo-2-phenyl-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 5-hydroxy-4-keto-2-phenyl-6,8-bis(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C3=C(C(=C2[O-])C[NH+]4CCCCC4)OC(=CC3=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C3=C(C(=C2[O-])C[NH+]4CCCCC4)OC(=CC3=O)C5=CC=CC=C5)O

InChI

InChI=1S/C27H32N2O4/c30-22-16-23(19-10-4-1-5-11-19)33-27-21(18-29-14-8-3-9-15-29)25(31)20(26(32)24(22)27)17-28-12-6-2-7-13-28/h1,4-5,10-11,16,31-32H,2-3,6-9,12-15,17-18H2/p+1