6-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4-benzylpiperidin-1-ium-1-yl)methyl]sesamol Formula: C20H24NO3+ MolecularWeight: 326.40946

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C20H23NO3/c22-18-12-20-19(23-14-24-20)11-17(18)13-21-8-6-16(7-9-21)10-15-4-2-1-3-5-15/h1-5,11-12,16,22H,6-10,13-14H2/p+1