[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium

Systemtic Name: [(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium Openeye Name: [(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propyl]-(2-furylmethyl)ammonium CAS Name: [(2S)-3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-(2-furanylmethyl)ammonium IUPAC Name: [(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-(furan-2-ylmethyl)azanium Traditional Name: [(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propyl]-(2-furfuryl)ammonium Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C[NH2+]CC2=CC=CO2)O)C

Isomeric SMILES

CC1=CC(=NN1C[C@H](C[NH2+]CC2=CC=CO2)O)C

InChI

InChI=1S/C13H19N3O2/c1-10-6-11(2)16(15-10)9-12(17)7-14-8-13-4-3-5-18-13/h3-6,12,14,17H,7-9H2,1-2H3/p+1/t12-/m0/s1