N-[2-[4-[2-(4-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide

Systemtic Name: N-[2-[4-[2-(4-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide Openeye Name: N-[2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide CAS Name: N-[2-[4-[2-(4-bromophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide Traditional Name: N-[2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]ethyl]isonicotinamide Formula: C20H24BrN4O3+ MolecularWeight: 448.33356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN4O3/c21-17-1-3-18(4-2-17)28-15-19(26)25-13-11-24(12-14-25)10-9-23-20(27)16-5-7-22-8-6-16/h1-8H,9-15H2,(H,23,27)/p+1