1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]-4-phenyl-butan-1-one Formula: C21H26FN2O+ MolecularWeight: 341.442343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H25FN2O/c22-20-10-4-9-19(16-20)17-23-12-14-24(15-13-23)21(25)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16H,5,8,11-15,17H2/p+1