4-[1-(4-fluorophenyl)-4-(2-methylphenyl)piperazin-1-ium-1-yl]butanal

Systemtic Name: 4-[1-(4-fluorophenyl)-4-(2-methylphenyl)piperazin-1-ium-1-yl]butanal Openeye Name: 4-[1-(4-fluorophenyl)-4-(o-tolyl)piperazin-1-ium-1-yl]butanal CAS Name: 4-[1-(4-fluorophenyl)-4-(2-methylphenyl)-1-piperazin-1-iumyl]butanal IUPAC Name: 4-[1-(4-fluorophenyl)-4-(2-methylphenyl)piperazin-1-ium-1-yl]butanal Traditional Name: 4-[1-(4-fluorophenyl)-4-(o-tolyl)piperazin-1-ium-1-yl]butyraldehyde Formula: C21H26FN2O+ MolecularWeight: 341.442343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[N+](CC2)(CCCC=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1N2CC[N+](CC2)(CCCC=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN2O/c1-18-6-2-3-7-21(18)23-12-15-24(16-13-23,14-4-5-17-25)20-10-8-19(22)9-11-20/h2-3,6-11,17H,4-5,12-16H2,1H3/q+1