3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]chromen-4-one CAS Name: 3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]chromone Formula: C22H24NO2+ MolecularWeight: 334.43146

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23NO2/c24-22-19(16-25-21-9-5-4-8-20(21)22)15-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,16,18H,10-15H2/p+1