N-(4-bromanyl-2-fluoranyl-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C18H22BrFN4O+2 MolecularWeight: 409.295883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H20BrFN4O/c19-14-4-5-16(15(20)13-14)22-18(25)6-8-23-9-11-24(12-10-23)17-3-1-2-7-21-17/h1-5,7,13H,6,8-12H2,(H,22,25)/p+2