(4-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[(1-methyl-2-pyrrolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C17H21FN3O+ MolecularWeight: 302.366543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3O/c1-19-8-2-3-16(19)13-20-9-11-21(12-10-20)17(22)14-4-6-15(18)7-5-14/h2-8H,9-13H2,1H3/p+1