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

Systemtic Name: (4-fluorophenyl)-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone CAS Name: (4-fluorophenyl)-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone Traditional Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone Formula: C23H30FN3O+2 MolecularWeight: 383.502203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C23H28FN3O/c24-21-8-6-20(7-9-21)23(28)27-16-14-26(15-17-27)22-10-12-25(13-11-22)18-19-4-2-1-3-5-19/h1-9,22H,10-18H2/p+2