3-phenanthridin-5-ium-5-ylbutan-2-one

Systemtic Name: 3-phenanthridin-5-ium-5-ylbutan-2-one Openeye Name: 3-phenanthridin-5-ium-5-ylbutan-2-one CAS Name: 3-(5-phenanthridin-5-iumyl)-2-butanone IUPAC Name: 3-phenanthridin-5-ium-5-ylbutan-2-one Traditional Name: 3-phenanthridin-5-ium-5-ylbutan-2-one Formula: C17H16NO+ MolecularWeight: 250.31504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)[N+]1=CC2=CC=CC=C2C3=CC=CC=C31

Isomeric SMILES

CC(C(=O)C)[N+]1=CC2=CC=CC=C2C3=CC=CC=C31

InChI

InChI=1S/C17H16NO/c1-12(13(2)19)18-11-14-7-3-4-8-15(14)16-9-5-6-10-17(16)18/h3-12H,1-2H3/q+1