[(1S)-1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]-(furan-2-ylmethyl)azanium

Systemtic Name: [(1S)-1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]-(furan-2-ylmethyl)azanium Openeye Name: [(1S)-1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]-(2-furylmethyl)ammonium CAS Name: [(1S)-1-(1-ethyl-5-methyl-4-pyrazolyl)ethyl]-(2-furanylmethyl)ammonium IUPAC Name: [(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-(furan-2-ylmethyl)azanium Traditional Name: [(1S)-1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]-(2-furfuryl)ammonium Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(C)[NH2+]CC2=CC=CO2)C

Isomeric SMILES

CCN1C(=C(C=N1)[C@H](C)[NH2+]CC2=CC=CO2)C

InChI

InChI=1S/C13H19N3O/c1-4-16-11(3)13(9-15-16)10(2)14-8-12-6-5-7-17-12/h5-7,9-10,14H,4,8H2,1-3H3/p+1/t10-/m0/s1