6-ethyl-4-[[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-4-[[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-4-[[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-4-[[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C23H26FN2O2+ MolecularWeight: 381.463143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O2/c1-2-17-6-7-22-21(13-17)19(14-23(27)28-22)16-26-10-8-25(9-11-26)15-18-4-3-5-20(24)12-18/h3-7,12-14H,2,8-11,15-16H2,1H3/p+1