(3S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium

Systemtic Name: (3S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium Openeye Name: (3S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium CAS Name: (3S)-1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidin-1-ium IUPAC Name: (3S)-1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-3-propoxypiperidin-1-ium Traditional Name: (3S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium Formula: C19H27FN3O+ MolecularWeight: 332.435583

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC[NH+](C1)CC2=CN(N=C2C3=CC=CC=C3F)C

Isomeric SMILES

CCCO[C@H]1CCC[NH+](C1)CC2=CN(N=C2C3=CC=CC=C3F)C

InChI

InChI=1S/C19H26FN3O/c1-3-11-24-16-7-6-10-23(14-16)13-15-12-22(2)21-19(15)17-8-4-5-9-18(17)20/h4-5,8-9,12,16H,3,6-7,10-11,13-14H2,1-2H3/p+1/t16-/m0/s1