(2S)-1-(4-ethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-ethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-ethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-ethylphenoxy)-3-(4-ethyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2S)-1-(4-ethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-ethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(C[NH+]2CC[NH+](CC2)CC)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@H](C[NH+]2CC[NH+](CC2)CC)O

InChI

InChI=1S/C17H28N2O2/c1-3-15-5-7-17(8-6-15)21-14-16(20)13-19-11-9-18(4-2)10-12-19/h5-8,16,20H,3-4,9-14H2,1-2H3/p+2/t16-/m0/s1