[4-[(4-fluorophenyl)methyl]-4-(3-pyridin-3-ylprop-2-ynyl)piperazin-4-ium-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-4-(3-pyridin-3-ylprop-2-ynyl)piperazin-4-ium-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-4-[3-(3-pyridyl)prop-2-ynyl]piperazin-4-ium-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone CAS Name: [4-[(4-fluorophenyl)methyl]-4-[3-(3-pyridinyl)prop-2-ynyl]-1-piperazin-4-iumyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-4-(3-pyridin-3-ylprop-2-ynyl)piperazin-4-ium-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone Traditional Name: [4-(4-fluorobenzyl)-4-[3-(3-pyridyl)prop-2-ynyl]piperazin-4-ium-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone Formula: C28H26F4N3O2+ MolecularWeight: 512.518553

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CC[N+](CC2)(CC#CC3=CN=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CC[N+](CC2)(CC#CC3=CN=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C28H26F4N3O2/c1-37-26-17-23(16-24(18-26)28(30,31)32)27(36)34-11-14-35(15-12-34,20-22-6-8-25(29)9-7-22)13-3-5-21-4-2-10-33-19-21/h2,4,6-10,16-19H,11-15,20H2,1H3/q+1