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

Systemtic Name: [1-(2-fluorophenyl)pyrazol-4-yl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Openeye Name: [1-(2-fluorophenyl)pyrazol-4-yl]methyl-[(3S)-8-methoxychroman-3-yl]ammonium CAS Name: [1-(2-fluorophenyl)-4-pyrazolyl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: [1-(2-fluorophenyl)pyrazol-4-yl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: [1-(2-fluorophenyl)pyrazol-4-yl]methyl-[(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=CN(N=C3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CC3=CN(N=C3)C4=CC=CC=C4F

InChI

InChI=1S/C20H20FN3O2/c1-25-19-8-4-5-15-9-16(13-26-20(15)19)22-10-14-11-23-24(12-14)18-7-3-2-6-17(18)21/h2-8,11-12,16,22H,9-10,13H2,1H3/p+1/t16-/m0/s1