4-(3-chloranylphenoxy)-1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-ol iodide

Systemtic Name: 4-(3-chloranylphenoxy)-1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-ol iodide Openeye Name: 1-benzyl-4-(3-chlorophenoxy)-1-methyl-pyrrolidin-1-ium-3-ol iodide CAS Name: 4-(3-chlorophenoxy)-1-methyl-1-(phenylmethyl)-3-pyrrolidin-1-iumol iodide IUPAC Name: 1-benzyl-4-(3-chlorophenoxy)-1-methylpyrrolidin-1-ium-3-ol iodide Traditional Name: 1-benzyl-4-(3-chlorophenoxy)-1-methyl-pyrrolidin-1-ium-3-ol iodide Formula: C18H21ClINO2 MolecularWeight: 445.72231

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(C(C1)OC2=CC(=CC=C2)Cl)O)CC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1(CC(C(C1)OC2=CC(=CC=C2)Cl)O)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H21ClNO2.HI/c1-20(11-14-6-3-2-4-7-14)12-17(21)18(13-20)22-16-9-5-8-15(19)10-16;/h2-10,17-18,21H,11-13H2,1H3;1H/q+1;/p-1