2-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]ethylazanium

Systemtic Name: 2-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]ethylazanium Openeye Name: 2-[5-(3,4-dimethylphenyl)isoxazol-3-yl]ethylammonium CAS Name: 2-[5-(3,4-dimethylphenyl)-3-isoxazolyl]ethylammonium IUPAC Name: 2-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]ethylazanium Traditional Name: 2-[5-(3,4-dimethylphenyl)isoxazol-3-yl]ethylammonium Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)CC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)CC[NH3+])C

InChI

InChI=1S/C13H16N2O/c1-9-3-4-11(7-10(9)2)13-8-12(5-6-14)15-16-13/h3-4,7-8H,5-6,14H2,1-2H3/p+1