2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol; 3,4,5-trimethoxyphenolate

Systemtic Name: 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol; 3,4,5-trimethoxyphenolate Openeye Name: 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol; 3,4,5-trimethoxyphenolate CAS Name: 2-(1-ethyl-1-piperazin-1-iumyl)-1,2-diphenylethanol; 3,4,5-trimethoxyphenolate IUPAC Name: 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenylethanol; 3,4,5-trimethoxyphenolate Traditional Name: 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol; 3,4,5-trimethoxyphenolate Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCNCC1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)O.COC1=CC(=CC(=C1OC)OC)[O-]

Isomeric SMILES

CC[N+]1(CCNCC1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)O.COC1=CC(=CC(=C1OC)OC)[O-]

InChI

InChI=1S/C20H27N2O.C9H12O4/c1-2-22(15-13-21-14-16-22)19(17-9-5-3-6-10-17)20(23)18-11-7-4-8-12-18;1-11-7-4-6(10)5-8(12-2)9(7)13-3/h3-12,19-21,23H,2,13-16H2,1H3;4-5,10H,1-3H3/q+1;/p-1