6-chloranyl-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C16H21ClN2O4+2 MolecularWeight: 340.80194

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O

InChI

InChI=1S/C16H19ClN2O4/c17-13-8-12-11(7-16(22)23-15(12)9-14(13)21)10-19-3-1-18(2-4-19)5-6-20/h7-9,20-21H,1-6,10H2/p+2