2,6-dimethylphenolate; 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol

Systemtic Name: 2,6-dimethylphenolate; 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol Openeye Name: 2,6-dimethylphenolate; 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol CAS Name: 2,6-dimethylphenolate; 2-(1-ethyl-1-piperazin-1-iumyl)-1,2-diphenylethanol IUPAC Name: 2,6-dimethylphenolate; 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenylethanol Traditional Name: 2,6-dimethylphenolate; 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol Formula: C28H36N2O2 MolecularWeight: 432.59764

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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.CC1=C(C(=CC=C1)C)[O-]

Isomeric SMILES

CC[N+]1(CCNCC1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)O.CC1=C(C(=CC=C1)C)[O-]

InChI

InChI=1S/C20H27N2O.C8H10O/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;1-6-4-3-5-7(2)8(6)9/h3-12,19-21,23H,2,13-16H2,1H3;3-5,9H,1-2H3/q+1;/p-1