5-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-8-nitroisoquinoline IUPAC Name: 5-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-8-nitro-isoquinoline Formula: C20H20FN4O2+ MolecularWeight: 367.396803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O2/c21-18-4-2-1-3-15(18)14-23-9-11-24(12-10-23)19-5-6-20(25(26)27)17-13-22-8-7-16(17)19/h1-8,13H,9-12,14H2/p+1