(2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-prop-2-enoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-prop-2-enoxy-propan-2-ol Openeye Name: (2S)-1-allyloxy-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-prop-2-enoxy-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-prop-2-enoxypropan-2-ol Traditional Name: (2S)-1-allyloxy-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O2/c1-2-10-21-13-16(20)12-18-6-8-19(9-7-18)15-5-3-4-14(17)11-15/h2-5,11,16,20H,1,6-10,12-13H2/p+1/t16-/m0/s1