6,8-bis(chloranyl)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6,8-bis(chloranyl)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 6,8-dichloro-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 6,8-dichloro-3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6,8-dichloro-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 6,8-dichloro-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C16H17Cl2N2O4+ MolecularWeight: 372.22318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl

InChI

InChI=1S/C16H16Cl2N2O4/c17-11-7-10-8-12(16(23)24-14(10)13(18)9-11)15(22)20-3-1-19(2-4-20)5-6-21/h7-9,21H,1-6H2/p+1