5-ethanoyl-6-methyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridin-1-ium-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(3-phenylisoxazol-5-yl)methylamino]pyridin-1-ium-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(3-phenyl-5-isoxazolyl)methylamino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridin-1-ium-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[(3-phenylisoxazol-5-yl)methylamino]pyridin-1-ium-3-carbonitrile Formula: C19H17N4O2+ MolecularWeight: 333.36388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)NCC2=CC(=NO2)C3=CC=CC=C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)NCC2=CC(=NO2)C3=CC=CC=C3)C#N)C(=O)C

InChI

InChI=1S/C19H16N4O2/c1-12-17(13(2)24)8-15(10-20)19(22-12)21-11-16-9-18(23-25-16)14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H,21,22)/p+1