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

Systemtic Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol Openeye Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-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-methoxy-4-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol Formula: C19H32N2O4+2 MolecularWeight: 352.46838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4/c1-3-4-16-5-6-18(19(13-16)24-2)25-15-17(23)14-21-9-7-20(8-10-21)11-12-22/h3,5-6,13,17,22-23H,1,4,7-12,14-15H2,2H3/p+2/t17-/m0/s1