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

Systemtic Name: (2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-(4-benzylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazine-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-benzylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C24H34N2O3+2 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3/c1-3-7-20-10-11-23(24(16-20)28-2)29-19-22(27)18-26-14-12-25(13-15-26)17-21-8-5-4-6-9-21/h3-6,8-11,16,22,27H,1,7,12-15,17-19H2,2H3/p+2/t22-/m0/s1