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

Systemtic Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol CAS Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol Formula: C21H30N2O3+2 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@H](C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H28N2O3/c1-25-20-8-5-9-21(14-20)26-17-19(24)16-23-12-10-22(11-13-23)15-18-6-3-2-4-7-18/h2-9,14,19,24H,10-13,15-17H2,1H3/p+2/t19-/m0/s1