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

Systemtic Name: methyl 4-phenanthridin-5-ium-5-ylbutanoate nitrate Openeye Name: methyl 4-phenanthridin-5-ium-5-ylbutanoate nitrate CAS Name: 4-(5-phenanthridin-5-iumyl)butanoic acid methyl ester nitrate IUPAC Name: methyl 4-phenanthridin-5-ium-5-ylbutanoate nitrate Traditional Name: 4-phenanthridin-5-ium-5-ylbutyric acid methyl ester nitrate Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NO2.NO3/c1-21-18(20)11-6-12-19-13-14-7-2-3-8-15(14)16-9-4-5-10-17(16)19;2-1(3)4/h2-5,7-10,13H,6,11-12H2,1H3;/q+1;-1