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

Systemtic Name: (2S)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-3-(4-propylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-propylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-3-(4-propylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-propylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-propylphenoxy)propan-2-ol Formula: C23H34N2O2+2 MolecularWeight: 370.52826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC[C@H](C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H32N2O2/c1-2-6-20-9-11-23(12-10-20)27-19-22(26)18-25-15-13-24(14-16-25)17-21-7-4-3-5-8-21/h3-5,7-12,22,26H,2,6,13-19H2,1H3/p+2/t22-/m0/s1