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

Systemtic Name: 6-[(R)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(R)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(R)-(4-bromophenyl)-(1-pyrrolidin-1-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(R)-(4-bromophenyl)-pyrrolidin-1-ium-1-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(R)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]sesamol Formula: C18H19BrNO3+ MolecularWeight: 377.25236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CC=C(C=C2)Br)C3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C1CC[NH+](C1)[C@H](C2=CC=C(C=C2)Br)C3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C18H18BrNO3/c19-13-5-3-12(4-6-13)18(20-7-1-2-8-20)14-9-16-17(10-15(14)21)23-11-22-16/h3-6,9-10,18,21H,1-2,7-8,11H2/p+1/t18-/m1/s1