(2R)-2-(2-methoxy-4-methyl-phenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(2-methoxy-4-methyl-phenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methoxy-4-methyl-phenoxy)propan-1-one CAS Name: (2R)-2-(2-methoxy-4-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methoxy-4-methylphenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methoxy-4-methyl-phenoxy)propan-1-one Formula: C22H29N2O3+ MolecularWeight: 369.47726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-17-9-10-20(21(15-17)26-3)27-18(2)22(25)24-13-11-23(12-14-24)16-19-7-5-4-6-8-19/h4-10,15,18H,11-14,16H2,1-3H3/p+1/t18-/m1/s1