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

Systemtic Name: 6-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]sesamol Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4O)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4O)OCO5

InChI

InChI=1S/C22H23N3O3S/c26-19-11-21-20(27-15-28-21)10-17(19)12-24-6-8-25(9-7-24)13-18-14-29-22(23-18)16-4-2-1-3-5-16/h1-5,10-11,14,26H,6-9,12-13,15H2/p+1