6,8-bis(chloranyl)-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 6,8-bis(chloranyl)-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6,8-dichloro-chromen-4-one CAS Name: 6,8-dichloro-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6,8-dichlorochromen-4-one Traditional Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6,8-dichloro-chromone Formula: C22H22Cl2NO2+ MolecularWeight: 403.32158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2NO2/c23-18-11-19-21(26)17(14-27-22(19)20(24)12-18)13-25-8-6-16(7-9-25)10-15-4-2-1-3-5-15/h1-5,11-12,14,16H,6-10,13H2/p+1