S-(2-phenanthridin-5-ium-5-ylethyl) ethanethioate bromide

Systemtic Name: S-(2-phenanthridin-5-ium-5-ylethyl) ethanethioate bromide Openeye Name: S-(2-phenanthridin-5-ium-5-ylethyl) ethanethioate bromide CAS Name: ethanethioic acid S-[2-(5-phenanthridin-5-iumyl)ethyl] ester bromide IUPAC Name: S-(2-phenanthridin-5-ium-5-ylethyl) ethanethioate bromide Traditional Name: ethanethioic acid S-(2-phenanthridin-5-ium-5-ylethyl) ester bromide Formula: C17H16BrNOS MolecularWeight: 362.28404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16NOS.BrH/c1-13(19)20-11-10-18-12-14-6-2-3-7-15(14)16-8-4-5-9-17(16)18;/h2-9,12H,10-11H2,1H3;1H/q+1;/p-1