3-[1-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-ol

Systemtic Name: 3-[1-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-ol Openeye Name: 3-[1-(o-tolyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-ol CAS Name: 3-[1-(2-methylphenyl)-1-piperazin-1-iumyl]-1-(3,4,5-trimethoxyphenyl)-1-propanol IUPAC Name: 3-[1-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-ol Traditional Name: 3-[1-(o-tolyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-ol Formula: C23H33N2O4+ MolecularWeight: 401.51912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2(CCNCC2)CCC(C3=CC(=C(C(=C3)OC)OC)OC)O

Isomeric SMILES

CC1=CC=CC=C1[N+]2(CCNCC2)CCC(C3=CC(=C(C(=C3)OC)OC)OC)O

InChI

InChI=1S/C23H33N2O4/c1-17-7-5-6-8-19(17)25(13-10-24-11-14-25)12-9-20(26)18-15-21(27-2)23(29-4)22(16-18)28-3/h5-8,15-16,20,24,26H,9-14H2,1-4H3/q+1