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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

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