6-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]sesamol Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H24N2O3/c26-21-13-23-22(27-16-28-23)12-19(21)15-25-10-8-24(9-11-25)14-18-6-3-5-17-4-1-2-7-20(17)18/h1-7,12-13,26H,8-11,14-16H2/p+1