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

Systemtic Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol Openeye Name: (2S)-1-[2-(2-isopropylphenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-phenyl-1-piperazin-1-iumyl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]-2-propanol IUPAC Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol Traditional Name: (2S)-1-[2-(2-isopropylphenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCCOCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCCOC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C24H34N2O3/c1-20(2)23-10-6-7-11-24(23)29-17-16-28-19-22(27)18-25-12-14-26(15-13-25)21-8-4-3-5-9-21/h3-11,20,22,27H,12-19H2,1-2H3/p+1/t22-/m0/s1