N-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C18H31FN5O+3 MolecularWeight: 352.470043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)F

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)F

InChI

InChI=1S/C18H28FN5O/c1-21-5-9-23(10-6-21)14-18(25)20-15-3-4-17(16(19)13-15)24-11-7-22(2)8-12-24/h3-4,13H,5-12,14H2,1-2H3,(H,20,25)/p+3