3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C21H19ClFN2O3+ MolecularWeight: 401.838563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

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