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

Systemtic Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-isopropylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-phenyl-1-piperazin-1-iumyl)-3-(4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-isopropylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2/c1-18(2)19-8-10-22(11-9-19)26-17-21(25)16-23-12-14-24(15-13-23)20-6-4-3-5-7-20/h3-11,18,21,25H,12-17H2,1-2H3/p+1/t21-/m0/s1