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

Systemtic Name: (2S)-1-(4-methylphenoxy)-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-methylphenoxy)propan-2-ol CAS Name: (2S)-1-(4-methylphenoxy)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-methylphenoxy)propan-2-ol Formula: C21H30N2O2+2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-18-7-9-21(10-8-18)25-17-20(24)16-23-13-11-22(12-14-23)15-19-5-3-2-4-6-19/h2-10,20,24H,11-17H2,1H3/p+2/t20-/m0/s1