1-(2-isocyanophenanthridin-5-ium-5-yl)propan-2-one

Systemtic Name: 1-(2-isocyanophenanthridin-5-ium-5-yl)propan-2-one Openeye Name: 1-(2-isocyanophenanthridin-5-ium-5-yl)propan-2-one CAS Name: 1-(2-isocyano-5-phenanthridin-5-iumyl)-2-propanone IUPAC Name: 1-(2-isocyanophenanthridin-5-ium-5-yl)propan-2-one Traditional Name: 1-(2-isocyanophenanthridin-5-ium-5-yl)acetone Formula: C17H13N2O+ MolecularWeight: 261.29792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC2=CC=CC=C2C3=C1C=CC(=C3)[N+]#[C-]

Isomeric SMILES

CC(=O)C[N+]1=CC2=CC=CC=C2C3=C1C=CC(=C3)[N+]#[C-]

InChI

InChI=1S/C17H13N2O/c1-12(20)10-19-11-13-5-3-4-6-15(13)16-9-14(18-2)7-8-17(16)19/h3-9,11H,10H2,1H3/q+1