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

Systemtic Name: methyl 4-phenanthridin-5-ium-5-ylbutanoate iodide Openeye Name: methyl 4-phenanthridin-5-ium-5-ylbutanoate iodide CAS Name: 4-(5-phenanthridin-5-iumyl)butanoic acid methyl ester iodide IUPAC Name: methyl 4-phenanthridin-5-ium-5-ylbutanoate iodide Traditional Name: 4-phenanthridin-5-ium-5-ylbutyric acid methyl ester iodide Formula: C18H18INO2 MolecularWeight: 407.24549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NO2.HI/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;1H/q+1;/p-1