(2R)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C20H35N2O3+ MolecularWeight: 351.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@H](COC2=C(C=C(C=C2)OC)C(C)(C)C)O

InChI

InChI=1S/C20H34N2O3/c1-6-21-9-11-22(12-10-21)14-16(23)15-25-19-8-7-17(24-5)13-18(19)20(2,3)4/h7-8,13,16,23H,6,9-12,14-15H2,1-5H3/p+1/t16-/m1/s1