(4-fluorophenyl)-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-(4-piperidin-1-iumylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-fluorophenyl)-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-(piperidin-1-ium-4-ylmethyl)piperazino]methanone Formula: C17H25FN3O+ MolecularWeight: 306.398303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH2+]CCC1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H24FN3O/c18-16-3-1-15(2-4-16)17(22)21-11-9-20(10-12-21)13-14-5-7-19-8-6-14/h1-4,14,19H,5-13H2/p+1