3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C25H32ClFN3O+ MolecularWeight: 444.992483

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H31ClFN3O/c26-23-7-4-8-24(27)22(23)19-28-13-11-20(12-14-28)9-10-25(31)30-17-15-29(16-18-30)21-5-2-1-3-6-21/h1-8,20H,9-19H2/p+1