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

Systemtic Name: 6,8-bis(chloranyl)-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 6,8-dichloro-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 6,8-dichloro-2-[oxo-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6,8-dichloro-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 6,8-dichloro-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromone Formula: C21H20Cl2N3O3+ MolecularWeight: 433.3078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C3=CC(=O)C4=CC(=CC(=C4O3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C3=CC(=O)C4=CC(=CC(=C4O3)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O3/c22-14-11-16-18(27)13-19(29-20(16)17(23)12-14)21(28)26-9-7-25(8-10-26)6-4-15-3-1-2-5-24-15/h1-3,5,11-13H,4,6-10H2/p+1