(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium

Systemtic Name: (5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Openeye Name: (5-fluoro-2-pyrazol-1-yl-phenyl)methyl-[(3S)-8-methoxychroman-3-yl]ammonium CAS Name: [5-fluoro-2-(1-pyrazolyl)phenyl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: (5-fluoro-2-pyrazol-1-ylphenyl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: (5-fluoro-2-pyrazol-1-yl-benzyl)-[(3S)-8-methoxychroman-3-yl]ammonium Formula: C20H21FN3O2+ MolecularWeight: 354.398043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CC3=C(C=CC(=C3)F)N4C=CC=N4

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CC3=C(C=CC(=C3)F)N4C=CC=N4

InChI

InChI=1S/C20H20FN3O2/c1-25-19-5-2-4-14-11-17(13-26-20(14)19)22-12-15-10-16(21)6-7-18(15)24-9-3-8-23-24/h2-10,17,22H,11-13H2,1H3/p+1/t17-/m0/s1