1-(2-butoxy-2-thiophen-2-yl-ethyl)-3-[(4-fluorophenyl)-phenyl-methyl]imidazol-1-ium ethanoate

Systemtic Name: 1-(2-butoxy-2-thiophen-2-yl-ethyl)-3-[(4-fluorophenyl)-phenyl-methyl]imidazol-1-ium ethanoate Openeye Name: 1-[2-butoxy-2-(2-thienyl)ethyl]-3-[(4-fluorophenyl)-phenyl-methyl]imidazol-1-ium acetate CAS Name: 1-(2-butoxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)-phenylmethyl]imidazol-1-ium acetate IUPAC Name: 1-(2-butoxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)-phenylmethyl]imidazol-1-ium acetate Traditional Name: 1-[2-butoxy-2-(2-thienyl)ethyl]-3-[(4-fluorophenyl)-phenyl-methyl]imidazol-1-ium acetate Formula: C28H31FN2O3S MolecularWeight: 494.620743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C[N+]1=CN(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)F)C4=CC=CS4.CC(=O)[O-]

Isomeric SMILES

CCCCOC(C[N+]1=CN(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)F)C4=CC=CS4.CC(=O)[O-]

InChI

InChI=1S/C26H28FN2OS.C2H4O2/c1-2-3-17-30-24(25-10-7-18-31-25)19-28-15-16-29(20-28)26(21-8-5-4-6-9-21)22-11-13-23(27)14-12-22;1-2(3)4/h4-16,18,20,24,26H,2-3,17,19H2,1H3;1H3,(H,3,4)/q+1;/p-1