6-[(R)-(4-dimethylaminophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(R)-(4-dimethylaminophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(R)-(4-dimethylaminophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(R)-(4-dimethylaminophenyl)-(1-pyrrolidin-1-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(R)-(4-dimethylaminophenyl)-pyrrolidin-1-ium-1-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(R)-(4-dimethylaminophenyl)-pyrrolidin-1-ium-1-yl-methyl]sesamol Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)[NH+]4CCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](C2=CC3=C(C=C2O)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C20H24N2O3/c1-21(2)15-7-5-14(6-8-15)20(22-9-3-4-10-22)16-11-18-19(12-17(16)23)25-13-24-18/h5-8,11-12,20,23H,3-4,9-10,13H2,1-2H3/p+1/t20-/m1/s1