(2S)-1-(3-methylphenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(3-methylphenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol Openeye Name: (2S)-1-(3-methylphenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol CAS Name: (2S)-1-(3-methylphenoxy)-3-(1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2S)-1-(3-methylphenoxy)-3-piperazine-1,4-diium-1-ylpropan-2-ol Traditional Name: (2S)-1-(3-methylphenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol Formula: C14H24N2O2+2 MolecularWeight: 252.35256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH+]2CC[NH2+]CC2)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH+]2CC[NH2+]CC2)O

InChI

InChI=1S/C14H22N2O2/c1-12-3-2-4-14(9-12)18-11-13(17)10-16-7-5-15-6-8-16/h2-4,9,13,15,17H,5-8,10-11H2,1H3/p+2/t13-/m0/s1