6-chloranyl-3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromone Formula: C16H21ClN2O3+2 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC2=COC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)CC2=COC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN2O3/c17-13-1-2-15-14(9-13)16(21)12(11-22-15)10-19-5-3-18(4-6-19)7-8-20/h1-2,9,11,20H,3-8,10H2/p+2