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

Systemtic Name: (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-tert-butylphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-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=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2/c1-23(2,3)19-9-11-22(12-10-19)27-18-21(26)17-24-13-15-25(16-14-24)20-7-5-4-6-8-20/h4-12,21,26H,13-18H2,1-3H3/p+1/t21-/m0/s1