2-[1-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide

Systemtic Name: 2-[1-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide Openeye Name: 2-[1-methyl-1-(2-thienylmethyl)pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide CAS Name: 2-[1-methyl-1-(thiophen-2-ylmethyl)-2-pyrrolidin-1-iumyl]-1,3-diphenyl-2-propanol iodide IUPAC Name: 2-[1-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide Traditional Name: 2-[1-methyl-1-(2-thenyl)pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide Formula: C25H30INOS MolecularWeight: 519.48127

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CS4.[I-]

Isomeric SMILES

C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CS4.[I-]

InChI

InChI=1S/C25H30NOS.HI/c1-26(20-23-14-9-17-28-23)16-8-15-24(26)25(27,18-21-10-4-2-5-11-21)19-22-12-6-3-7-13-22;/h2-7,9-14,17,24,27H,8,15-16,18-20H2,1H3;1H/q+1;/p-1