(2S)-1-(5-methyl-2-propan-2-yl-phenoxy)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(5-methyl-2-propan-2-yl-phenoxy)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol CAS Name: (2S)-1-(5-methyl-2-propan-2-ylphenoxy)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol Formula: C24H36N2O2+2 MolecularWeight: 384.55484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H](C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C24H34N2O2/c1-19(2)23-10-9-20(3)15-24(23)28-18-22(27)17-26-13-11-25(12-14-26)16-21-7-5-4-6-8-21/h4-10,15,19,22,27H,11-14,16-18H2,1-3H3/p+2/t22-/m0/s1