ethyl 7-phenanthridin-5-ium-5-ylheptanoate nitrate

Systemtic Name: ethyl 7-phenanthridin-5-ium-5-ylheptanoate nitrate Openeye Name: ethyl 7-phenanthridin-5-ium-5-ylheptanoate nitrate CAS Name: 7-(5-phenanthridin-5-iumyl)heptanoic acid ethyl ester nitrate IUPAC Name: ethyl 7-phenanthridin-5-ium-5-ylheptanoate nitrate Traditional Name: 7-phenanthridin-5-ium-5-ylenanthic acid ethyl ester nitrate Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC[N+]1=CC2=CC=CC=C2C3=CC=CC=C31.[N+](=O)([O-])[O-]

Isomeric SMILES

CCOC(=O)CCCCCC[N+]1=CC2=CC=CC=C2C3=CC=CC=C31.[N+](=O)([O-])[O-]

InChI

InChI=1S/C22H26NO2.NO3/c1-2-25-22(24)15-5-3-4-10-16-23-17-18-11-6-7-12-19(18)20-13-8-9-14-21(20)23;2-1(3)4/h6-9,11-14,17H,2-5,10,15-16H2,1H3;/q+1;-1