(2R)-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]propane-1,2-diol

Systemtic Name: (2R)-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]propane-1,2-diol Openeye Name: (2R)-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]propane-1,2-diol CAS Name: (2R)-3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]propane-1,2-diol IUPAC Name: (2R)-3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]propane-1,2-diol Traditional Name: (2R)-3-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]propane-1,2-diol Formula: C17H29N2O4+ MolecularWeight: 325.42316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)CC(CO)O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C[C@H](CO)O)OC)OC

InChI

InChI=1S/C17H28N2O4/c1-13-8-16(22-2)17(23-3)9-14(13)10-18-4-6-19(7-5-18)11-15(21)12-20/h8-9,15,20-21H,4-7,10-12H2,1-3H3/p+1/t15-/m1/s1