1-(1-ethylpiperazin-1-ium-1-yl)-1-phenyl-propan-2-ol; 4-methylphenolate

Systemtic Name: 1-(1-ethylpiperazin-1-ium-1-yl)-1-phenyl-propan-2-ol; 4-methylphenolate Openeye Name: 1-(1-ethylpiperazin-1-ium-1-yl)-1-phenyl-propan-2-ol; 4-methylphenolate CAS Name: 1-(1-ethyl-1-piperazin-1-iumyl)-1-phenyl-2-propanol; 4-methylphenolate IUPAC Name: 1-(1-ethylpiperazin-1-ium-1-yl)-1-phenylpropan-2-ol; 4-methylphenolate Traditional Name: 1-(1-ethylpiperazin-1-ium-1-yl)-1-phenyl-propan-2-ol; 4-methylphenolate Formula: C22H32N2O2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N2O.C7H8O/c1-3-17(11-9-16-10-12-17)15(13(2)18)14-7-5-4-6-8-14;1-6-2-4-7(8)5-3-6/h4-8,13,15-16,18H,3,9-12H2,1-2H3;2-5,8H,1H3/q+1;/p-1