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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-methoxy-2-prop-2-enyl-phenoxy)propan-2-ol Openeye Name: (2S)-1-(2-allyl-4-methoxy-phenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(4-methoxy-2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-allyl-4-methoxy-phenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C23H30ClN2O3+ MolecularWeight: 417.9489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O)CC=C

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O)CC=C

InChI

InChI=1S/C23H29ClN2O3/c1-3-5-18-14-22(28-2)8-9-23(18)29-17-21(27)16-25-10-12-26(13-11-25)20-7-4-6-19(24)15-20/h3-4,6-9,14-15,21,27H,1,5,10-13,16-17H2,2H3/p+1/t21-/m0/s1