methyl 8-phenanthridin-5-ium-5-yloctanoate nitrate

Systemtic Name: methyl 8-phenanthridin-5-ium-5-yloctanoate nitrate Openeye Name: methyl 8-phenanthridin-5-ium-5-yloctanoate nitrate CAS Name: 8-(5-phenanthridin-5-iumyl)octanoic acid methyl ester nitrate IUPAC Name: methyl 8-phenanthridin-5-ium-5-yloctanoate nitrate Traditional Name: 8-phenanthridin-5-ium-5-ylcaprylic acid methyl ester nitrate Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26NO2.NO3/c1-25-22(24)15-5-3-2-4-10-16-23-17-18-11-6-7-12-19(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