2,3-dihydro-1-benzofuran-5-ylmethyl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-4-pyrazolyl]ethyl]ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]azanium Traditional Name: coumaran-5-ylmethyl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=CC=C2)F)C(C)[NH2+]CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC(=CC=C2)F)[C@H](C)[NH2+]CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H22FN3O/c1-14(23-12-16-6-7-21-17(10-16)8-9-26-21)20-13-24-25(15(20)2)19-5-3-4-18(22)11-19/h3-7,10-11,13-14,23H,8-9,12H2,1-2H3/p+1/t14-/m0/s1