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

Systemtic Name: (2S)-1-(4-ethylphenoxy)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-ethylphenoxy)propan-2-ol CAS Name: (2S)-1-(4-ethylphenoxy)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-ethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-ethylphenoxy)propan-2-ol Formula: C22H32N2O2+2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@H](C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O2/c1-2-19-8-10-22(11-9-19)26-18-21(25)17-24-14-12-23(13-15-24)16-20-6-4-3-5-7-20/h3-11,21,25H,2,12-18H2,1H3/p+2/t21-/m0/s1