7-oxidanyl-3-phenyl-8-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]chromen-4-one

Systemtic Name: 7-oxidanyl-3-phenyl-8-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]chromen-4-one Openeye Name: 7-hydroxy-3-phenyl-8-[[4-(1-piperidyl)piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[[4-(1-piperidinyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenyl-8-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 7-hydroxy-3-phenyl-8-[(4-piperidinopiperidin-1-ium-1-yl)methyl]chromone Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CCN(CC1)C2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

InChI

InChI=1S/C26H30N2O3/c29-24-10-9-21-25(30)23(19-7-3-1-4-8-19)18-31-26(21)22(24)17-27-15-11-20(12-16-27)28-13-5-2-6-14-28/h1,3-4,7-10,18,20,29H,2,5-6,11-17H2/p+1