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

Systemtic Name: (3S)-1-(furan-3-ylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-(3-furylmethyl)-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3S)-1-(3-furanylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-(furan-3-ylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-1-(3-furfuryl)-3-[4-(m-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(=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4=COC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=COC=C4

InChI

InChI=1S/C20H23N3O/c1-15-4-2-5-17(10-15)19-11-21-22-20(19)18-6-3-8-23(13-18)12-16-7-9-24-14-16/h2,4-5,7,9-11,14,18H,3,6,8,12-13H2,1H3,(H,21,22)/p+1/t18-/m0/s1