1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-methyl-3-phenyl-pyrrolidin-1-ium-1-yl)butan-1-one iodide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-methyl-3-phenyl-pyrrolidin-1-ium-1-yl)butan-1-one iodide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-methyl-3-phenyl-pyrrolidin-1-ium-1-yl)butan-1-one iodide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-methyl-3-phenyl-1-pyrrolidin-1-iumyl)-1-butanone iodide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-methyl-3-phenylpyrrolidin-1-ium-1-yl)butan-1-one iodide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-methyl-3-phenyl-pyrrolidin-1-ium-1-yl)butan-1-one iodide Formula: C23H28INO3 MolecularWeight: 493.37779

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)OCCO4.[I-]

Isomeric SMILES

C[N+]1(CCC(C1)C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)OCCO4.[I-]

InChI

InChI=1S/C23H28NO3.HI/c1-24(13-11-20(17-24)18-6-3-2-4-7-18)12-5-8-21(25)19-9-10-22-23(16-19)27-15-14-26-22;/h2-4,6-7,9-10,16,20H,5,8,11-15,17H2,1H3;1H/q+1;/p-1