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

Systemtic Name: 6,8-bis(chloranyl)-3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6,8-dichloro-chromen-4-one CAS Name: 6,8-dichloro-3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6,8-dichlorochromen-4-one Traditional Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6,8-dichloro-chromone Formula: C21H21Cl2N2O2+ MolecularWeight: 404.30964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H20Cl2N2O2/c22-17-10-18-20(26)16(14-27-21(18)19(23)11-17)13-25-8-6-24(7-9-25)12-15-4-2-1-3-5-15/h1-5,10-11,14H,6-9,12-13H2/p+1