(3S)-1-(furan-3-ylmethyl)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: (3S)-1-(furan-3-ylmethyl)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-(3-furylmethyl)-3-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3S)-1-(3-furanylmethyl)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-(furan-3-ylmethyl)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-1-(3-furfuryl)-3-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C20H24N3O+ MolecularWeight: 322.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2)C3CCC[NH+](C3)CC4=COC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=COC=C4

InChI

InChI=1S/C20H23N3O/c1-15-5-2-3-7-18(15)19-11-21-22-20(19)17-6-4-9-23(13-17)12-16-8-10-24-14-16/h2-3,5,7-8,10-11,14,17H,4,6,9,12-13H2,1H3,(H,21,22)/p+1/t17-/m0/s1