[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]-(4-phenylpiperazino)methanone Formula: C23H28ClFN3O+ MolecularWeight: 416.939323

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H27ClFN3O/c24-21-7-4-8-22(25)20(21)17-26-11-9-18(10-12-26)23(29)28-15-13-27(14-16-28)19-5-2-1-3-6-19/h1-8,18H,9-17H2/p+1