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

Systemtic Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-propan-2-yloxy-propan-2-ol Openeye Name: (2S)-1-isopropoxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-phenyl-1-piperazin-1-iumyl)-3-propan-2-yloxy-2-propanol IUPAC Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-propan-2-yloxypropan-2-ol Traditional Name: (2S)-1-isopropoxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(C[NH+]1CCN(CC1)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)OC[C@H](C[NH+]1CCN(CC1)C2=CC=CC=C2)O

InChI

InChI=1S/C16H26N2O2/c1-14(2)20-13-16(19)12-17-8-10-18(11-9-17)15-6-4-3-5-7-15/h3-7,14,16,19H,8-13H2,1-2H3/p+1/t16-/m0/s1