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

Systemtic Name: 4-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one Openeye Name: 4-[[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one CAS Name: 4-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethylchromen-2-one Traditional Name: 4-[[4-(2-chloro-4-fluoro-benzyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-coumarin Formula: C23H25ClFN2O2+ MolecularWeight: 415.908203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C23H24ClFN2O2/c1-2-16-3-6-22-20(11-16)18(12-23(28)29-22)15-27-9-7-26(8-10-27)14-17-4-5-19(25)13-21(17)24/h3-6,11-13H,2,7-10,14-15H2,1H3/p+1