(3S)-1-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-(2-furylmethyl)-3-(1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-(2-furanylmethyl)-3-(1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-(2-furfuryl)-3-(1H-pyrazol-5-yl)piperidin-1-ium Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CO2)C3=CC=NN3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CO2)C3=CC=NN3

InChI

InChI=1S/C13H17N3O/c1-3-11(13-5-6-14-15-13)9-16(7-1)10-12-4-2-8-17-12/h2,4-6,8,11H,1,3,7,9-10H2,(H,14,15)/p+1/t11-/m0/s1