(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol CAS Name: (2S)-1-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-3-(5-methyl-2-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol Formula: C25H37N2O2+ MolecularWeight: 397.57348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)O

InChI

InChI=1S/C25H36N2O2/c1-18(2)23-10-9-19(3)15-25(23)29-17-22(28)16-26-11-13-27(14-12-26)24-8-6-7-20(4)21(24)5/h6-10,15,18,22,28H,11-14,16-17H2,1-5H3/p+1/t22-/m0/s1