2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-4-one

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-4-one Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carbonyl]chromone Formula: C21H19ClFN2O3+ MolecularWeight: 401.838563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C21H18ClFN2O3/c22-16-5-3-6-17(23)15(16)13-24-8-10-25(11-9-24)21(27)20-12-18(26)14-4-1-2-7-19(14)28-20/h1-7,12H,8-11,13H2/p+1