1,3,7-trimethyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium

Systemtic Name: 1,3,7-trimethyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium Openeye Name: 1,3,7-trimethyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium CAS Name: 1,3,7-trimethyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium IUPAC Name: 1,3,7-trimethyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium Traditional Name: 1,3,7-trimethyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium Formula: C14H15N4+ MolecularWeight: 239.2957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C(=NN2C)C)C(=C1)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=[N+](C(=NN2C)C)C(=C1)C3=CC=CC=C3

InChI

InChI=1S/C14H15N4/c1-10-9-13(12-7-5-4-6-8-12)18-11(2)16-17(3)14(18)15-10/h4-9H,1-3H3/q+1