6-[(S)-(3-methoxy-2-oxidanyl-phenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(S)-(3-methoxy-2-oxidanyl-phenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-(2-hydroxy-3-methoxy-phenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-(2-hydroxy-3-methoxyphenyl)-(1-pyrrolidin-1-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-(2-hydroxy-3-methoxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-(2-hydroxy-3-methoxy-phenyl)-pyrrolidin-1-ium-1-yl-methyl]sesamol Formula: C19H22NO5+ MolecularWeight: 344.38168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(C2=CC3=C(C=C2O)OCO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1O)[C@H](C2=CC3=C(C=C2O)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C19H21NO5/c1-23-15-6-4-5-12(19(15)22)18(20-7-2-3-8-20)13-9-16-17(10-14(13)21)25-11-24-16/h4-6,9-10,18,21-22H,2-3,7-8,11H2,1H3/p+1/t18-/m1/s1