6-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(4-isopropylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(4-isopropylbenzyl)piperazin-1-ium-1-yl]methyl]sesamol Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C22H28N2O3/c1-16(2)18-5-3-17(4-6-18)13-23-7-9-24(10-8-23)14-19-11-21-22(12-20(19)25)27-15-26-21/h3-6,11-12,16,25H,7-10,13-15H2,1-2H3/p+1