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

Systemtic Name: (3S)-1-(furan-2-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-(2-furylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-(2-furanylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-(furan-2-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-(2-furfuryl)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C14H20N3O+ MolecularWeight: 246.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1)C2CCC[NH+](C2)CC3=CC=CO3

Isomeric SMILES

CC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=CC=CO3

InChI

InChI=1S/C14H19N3O/c1-11-8-15-16-14(11)12-4-2-6-17(9-12)10-13-5-3-7-18-13/h3,5,7-8,12H,2,4,6,9-10H2,1H3,(H,15,16)/p+1/t12-/m0/s1