(E)-(3-oxidanylidene-4-oxaspiro[4.5]decan-1-ylidene)-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: (E)-(3-oxidanylidene-4-oxaspiro[4.5]decan-1-ylidene)-(2-pyrazol-1-ylethyl)azanium Openeye Name: (E)-(3-oxo-4-oxaspiro[4.5]decan-1-ylidene)-(2-pyrazol-1-ylethyl)ammonium CAS Name: (E)-(3-oxo-4-oxaspiro[4.5]decan-1-ylidene)-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: (E)-(3-oxo-4-oxaspiro[4.5]decan-1-ylidene)-(2-pyrazol-1-ylethyl)azanium Traditional Name: (E)-(3-keto-4-oxaspiro[4.5]decan-1-ylidene)-(2-pyrazol-1-ylethyl)ammonium Formula: C14H20N3O2+ MolecularWeight: 262.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=[NH+]CCN3C=CC=N3)CC(=O)O2

Isomeric SMILES

C1CCC2(CC1)/C(=[NH+]/CCN3C=CC=N3)/CC(=O)O2

InChI

InChI=1S/C14H19N3O2/c18-13-11-12(14(19-13)5-2-1-3-6-14)15-8-10-17-9-4-7-16-17/h4,7,9H,1-3,5-6,8,10-11H2/p+1/b15-12+