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

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

Isomeric SMILES

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

InChI

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