3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C20H20ClN2O2+ MolecularWeight: 355.838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O2/c21-16-4-3-5-17(12-16)23-10-8-22(9-11-23)13-15-14-25-19-7-2-1-6-18(19)20(15)24/h1-7,12,14H,8-11,13H2/p+1