5-isocyano-1,4,6-trimethyl-3-phenyl-2H-pyrimidin-1-ium

Systemtic Name: 5-isocyano-1,4,6-trimethyl-3-phenyl-2H-pyrimidin-1-ium Openeye Name: 5-isocyano-1,4,6-trimethyl-3-phenyl-2H-pyrimidin-1-ium CAS Name: 5-isocyano-1,4,6-trimethyl-3-phenyl-2H-pyrimidin-1-ium IUPAC Name: 5-isocyano-1,4,6-trimethyl-3-phenyl-2H-pyrimidin-1-ium Traditional Name: 5-isocyano-1,4,6-trimethyl-3-phenyl-2H-pyrimidin-1-ium Formula: C14H16N3+ MolecularWeight: 226.29694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](CN1C2=CC=CC=C2)C)C)[N+]#[C-]

Isomeric SMILES

CC1=C(C(=[N+](CN1C2=CC=CC=C2)C)C)[N+]#[C-]

InChI

InChI=1S/C14H16N3/c1-11-14(15-3)12(2)17(10-16(11)4)13-8-6-5-7-9-13/h5-9H,10H2,1-2,4H3/q+1