1-[bis(4-fluorophenyl)methyl]-1-[(2,3-dimethoxyphenyl)-methoxy-methyl]piperazin-1-ium

Systemtic Name: 1-[bis(4-fluorophenyl)methyl]-1-[(2,3-dimethoxyphenyl)-methoxy-methyl]piperazin-1-ium Openeye Name: 1-[bis(4-fluorophenyl)methyl]-1-[(2,3-dimethoxyphenyl)-methoxy-methyl]piperazin-1-ium CAS Name: 1-[bis(4-fluorophenyl)methyl]-1-[(2,3-dimethoxyphenyl)-methoxymethyl]piperazin-1-ium IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-1-[(2,3-dimethoxyphenyl)-methoxymethyl]piperazin-1-ium Traditional Name: 1-[bis(4-fluorophenyl)methyl]-1-[(2,3-dimethoxyphenyl)-methoxy-methyl]piperazin-1-ium Formula: C27H31F2N2O3+ MolecularWeight: 469.543446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C([N+]2(CCNCC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)C([N+]2(CCNCC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C27H31F2N2O3/c1-32-24-6-4-5-23(26(24)33-2)27(34-3)31(17-15-30-16-18-31)25(19-7-11-21(28)12-8-19)20-9-13-22(29)14-10-20/h4-14,25,27,30H,15-18H2,1-3H3/q+1