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

Systemtic Name: (2S)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-allylphenoxy)-3-(4-benzylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-allylphenoxy)-3-(4-benzylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C23H32N2O2+2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

C=CCC1=CC=CC=C1OC[C@H](C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O2/c1-2-8-21-11-6-7-12-23(21)27-19-22(26)18-25-15-13-24(14-16-25)17-20-9-4-3-5-10-20/h2-7,9-12,22,26H,1,8,13-19H2/p+2/t22-/m0/s1