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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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