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

Systemtic Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-allylphenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-allylphenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol Formula: C18H30N2O3+2 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-2-5-16-6-3-4-7-18(16)23-15-17(22)14-20-10-8-19(9-11-20)12-13-21/h2-4,6-7,17,21-22H,1,5,8-15H2/p+2/t17-/m0/s1