(2S)-1-(2-tert-butylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H32N2O2/c1-23(2,3)21-11-7-8-12-22(21)27-18-20(26)17-24-13-15-25(16-14-24)19-9-5-4-6-10-19/h4-12,20,26H,13-18H2,1-3H3/p+1/t20-/m0/s1