[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-(3-fluorophenyl)methanone IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Traditional Name: [4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Formula: C20H24FN2O+ MolecularWeight: 327.415763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN2O/c1-2-16-6-8-17(9-7-16)15-22-10-12-23(13-11-22)20(24)18-4-3-5-19(21)14-18/h3-9,14H,2,10-13,15H2,1H3/p+1