methyl 4-phenanthridin-5-ium-5-ylbutanoate

Systemtic Name: methyl 4-phenanthridin-5-ium-5-ylbutanoate Openeye Name: methyl 4-phenanthridin-5-ium-5-ylbutanoate CAS Name: 4-(5-phenanthridin-5-iumyl)butanoic acid methyl ester IUPAC Name: methyl 4-phenanthridin-5-ium-5-ylbutanoate Traditional Name: 4-phenanthridin-5-ium-5-ylbutyric acid methyl ester Formula: C18H18NO2+ MolecularWeight: 280.34102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NO2/c1-21-18(20)11-6-12-19-13-14-7-2-3-8-15(14)16-9-4-5-10-17(16)19/h2-5,7-10,13H,6,11-12H2,1H3/q+1