[3,4-bis(fluoranyl)phenyl]-(4-piperidin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [3,4-bis(fluoranyl)phenyl]-(4-piperidin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (3,4-difluorophenyl)-(4-piperidin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (3,4-difluorophenyl)-[4-(4-piperidin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3,4-difluorophenyl)-(4-piperidin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (3,4-difluorophenyl)-(4-piperidin-1-ium-4-ylpiperazino)methanone Formula: C16H22F2N3O+ MolecularWeight: 310.362186

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1C[NH2+]CCC1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C16H21F2N3O/c17-14-2-1-12(11-15(14)18)16(22)21-9-7-20(8-10-21)13-3-5-19-6-4-13/h1-2,11,13,19H,3-10H2/p+1