[2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl] 2,2-diphenylethanoate

Systemtic Name: [2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl] 2,2-diphenylethanoate Openeye Name: [2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [2-(4,4-dimethyl-1-piperazin-4-iumyl)-2-phenylethyl] ester IUPAC Name: [2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl] ester Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

C[N+]1(CCN(CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H33N2O2/c1-30(2)20-18-29(19-21-30)26(23-12-6-3-7-13-23)22-32-28(31)27(24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,26-27H,18-22H2,1-2H3/q+1