7-ethyl-2,4,6-trimethyl-1H-pyrrolo[1,2-a]pyrimidin-5-ium-8-carbonitrile

Systemtic Name: 7-ethyl-2,4,6-trimethyl-1H-pyrrolo[1,2-a]pyrimidin-5-ium-8-carbonitrile Openeye Name: 7-ethyl-2,4,6-trimethyl-1H-pyrrolo[1,2-a]pyrimidin-5-ium-8-carbonitrile CAS Name: 7-ethyl-2,4,6-trimethyl-1H-pyrrolo[1,2-a]pyrimidin-5-ium-8-carbonitrile IUPAC Name: 7-ethyl-2,4,6-trimethyl-1H-pyrrolo[1,2-a]pyrimidin-5-ium-8-carbonitrile Traditional Name: 7-ethyl-2,4,6-trimethyl-1H-pyrrolo[1,2-a]pyrimidin-5-ium-8-carbonitrile Formula: C13H16N3+ MolecularWeight: 214.28624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+]2=C(C=C(NC2=C1C#N)C)C)C

Isomeric SMILES

CCC1=C([N+]2=C(C=C(NC2=C1C#N)C)C)C

InChI

InChI=1S/C13H15N3/c1-5-11-10(4)16-9(3)6-8(2)15-13(16)12(11)7-14/h6H,5H2,1-4H3/p+1