4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methoxy-phenol CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methoxyphenol IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methoxyphenol Traditional Name: 2-methoxy-4-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]phenol Formula: C20H26N2O4+2 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H24N2O4/c1-24-19-10-15(2-4-17(19)23)12-21-6-8-22(9-7-21)13-16-3-5-18-20(11-16)26-14-25-18/h2-5,10-11,23H,6-9,12-14H2,1H3/p+2