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

Systemtic Name: methyl 8-phenanthridin-5-ium-5-yloctanoate Openeye Name: methyl 8-phenanthridin-5-ium-5-yloctanoate CAS Name: 8-(5-phenanthridin-5-iumyl)octanoic acid methyl ester IUPAC Name: methyl 8-phenanthridin-5-ium-5-yloctanoate Traditional Name: 8-phenanthridin-5-ium-5-ylcaprylic acid methyl ester Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26NO2/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/h6-9,11-14,17H,2-5,10,15-16H2,1H3/q+1