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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-allylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-allylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

Isomeric SMILES

C=CCC1=CC=CC=C1OC[C@H](C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C22H27ClN2O2/c1-2-6-18-7-3-4-10-22(18)27-17-21(26)16-24-11-13-25(14-12-24)20-9-5-8-19(23)15-20/h2-5,7-10,15,21,26H,1,6,11-14,16-17H2/p+1/t21-/m0/s1