diethyl 2-(3-phenanthridin-5-ium-5-ylpropyl)propanedioate

Systemtic Name: diethyl 2-(3-phenanthridin-5-ium-5-ylpropyl)propanedioate Openeye Name: diethyl 2-(3-phenanthridin-5-ium-5-ylpropyl)propanedioate CAS Name: 2-[3-(5-phenanthridin-5-iumyl)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-phenanthridin-5-ium-5-ylpropyl)propanedioate Traditional Name: 2-(3-phenanthridin-5-ium-5-ylpropyl)malonic acid diethyl ester Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26NO4/c1-3-27-22(25)20(23(26)28-4-2)13-9-15-24-16-17-10-5-6-11-18(17)19-12-7-8-14-21(19)24/h5-8,10-12,14,16,20H,3-4,9,13,15H2,1-2H3/q+1