3-[3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propylazanium

Systemtic Name: 3-[3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propylazanium Openeye Name: 3-[3-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propylammonium CAS Name: 3-[3-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-oxadiazol-5-yl]propylammonium IUPAC Name: 3-[3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propylazanium Traditional Name: 3-[3-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propylammonium Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2NOC(=N2)CCC[NH3+])C=CC1=O

Isomeric SMILES

COC1=CC(=C2NOC(=N2)CCC[NH3+])C=CC1=O

InChI

InChI=1S/C12H15N3O3/c1-17-10-7-8(4-5-9(10)16)12-14-11(18-15-12)3-2-6-13/h4-5,7,15H,2-3,6,13H2,1H3/p+1