ethyl 5-phenanthridin-5-ium-5-ylpentanoate bromide

Systemtic Name: ethyl 5-phenanthridin-5-ium-5-ylpentanoate bromide Openeye Name: ethyl 5-phenanthridin-5-ium-5-ylpentanoate bromide CAS Name: 5-(5-phenanthridin-5-iumyl)pentanoic acid ethyl ester bromide IUPAC Name: ethyl 5-phenanthridin-5-ium-5-ylpentanoate bromide Traditional Name: 5-phenanthridin-5-ium-5-ylvaleric acid ethyl ester bromide Formula: C20H22BrNO2 MolecularWeight: 388.29818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22NO2.BrH/c1-2-23-20(22)13-7-8-14-21-15-16-9-3-4-10-17(16)18-11-5-6-12-19(18)21;/h3-6,9-12,15H,2,7-8,13-14H2,1H3;1H/q+1;/p-1