1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-3-(2,4-dimethylphenoxy)-2-propanol IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol Traditional Name: 1-(2,4-dimethylphenoxy)-3-(4-piperonylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C23H32N2O4+2 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O)C

InChI

InChI=1S/C23H30N2O4/c1-17-3-5-21(18(2)11-17)27-15-20(26)14-25-9-7-24(8-10-25)13-19-4-6-22-23(12-19)29-16-28-22/h3-6,11-12,20,26H,7-10,13-16H2,1-2H3/p+2