6-[(S)-(2,4-dichlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(S)-(2,4-dichlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-(2,4-dichlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-(2,4-dichlorophenyl)-(1-pyrrolidin-1-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-(2,4-dichlorophenyl)-pyrrolidin-1-ium-1-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-(2,4-dichlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]sesamol Formula: C18H18Cl2NO3+ MolecularWeight: 367.24642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2NO3/c19-11-3-4-12(14(20)7-11)18(21-5-1-2-6-21)13-8-16-17(9-15(13)22)24-10-23-16/h3-4,7-9,18,22H,1-2,5-6,10H2/p+1/t18-/m1/s1