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

Systemtic Name: 2-chloranylphenolate; 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol Openeye Name: 2-chlorophenolate; 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol CAS Name: 2-chlorophenolate; 2-(1-ethyl-1-piperazin-1-iumyl)-1,2-diphenylethanol IUPAC Name: 2-chlorophenolate; 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenylethanol Traditional Name: 2-chlorophenolate; 2-(1-ethylpiperazin-1-ium-1-yl)-1,2-diphenyl-ethanol Formula: C26H31ClN2O2 MolecularWeight: 438.98954

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N2O.C6H5ClO/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;7-5-3-1-2-4-6(5)8/h3-12,19-21,23H,2,13-16H2,1H3;1-4,8H/q+1;/p-1