1-(1-butyl-1-methyl-pyrrolidin-1-ium-2-yl)-1,3-diphenyl-propan-2-ol iodide

Systemtic Name: 1-(1-butyl-1-methyl-pyrrolidin-1-ium-2-yl)-1,3-diphenyl-propan-2-ol iodide Openeye Name: 1-(1-butyl-1-methyl-pyrrolidin-1-ium-2-yl)-1,3-diphenyl-propan-2-ol iodide CAS Name: 1-(1-butyl-1-methyl-2-pyrrolidin-1-iumyl)-1,3-diphenyl-2-propanol iodide IUPAC Name: 1-(1-butyl-1-methylpyrrolidin-1-ium-2-yl)-1,3-diphenylpropan-2-ol iodide Traditional Name: 1-(1-butyl-1-methyl-pyrrolidin-1-ium-2-yl)-1,3-diphenyl-propan-2-ol iodide Formula: C24H34INO MolecularWeight: 479.43733

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCC1C(C2=CC=CC=C2)C(CC3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

CCCC[N+]1(CCCC1C(C2=CC=CC=C2)C(CC3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C24H34NO.HI/c1-3-4-17-25(2)18-11-16-22(25)24(21-14-9-6-10-15-21)23(26)19-20-12-7-5-8-13-20;/h5-10,12-15,22-24,26H,3-4,11,16-19H2,1-2H3;1H/q+1;/p-1