1-[4-[2-(1-adamantyl)ethyl]-1-methyl-2-propyl-pyridin-1-ium-3-yl]-3-pentyl-urea iodide

Systemtic Name: 1-[4-[2-(1-adamantyl)ethyl]-1-methyl-2-propyl-pyridin-1-ium-3-yl]-3-pentyl-urea iodide Openeye Name: 1-[4-[2-(1-adamantyl)ethyl]-1-methyl-2-propyl-pyridin-1-ium-3-yl]-3-pentyl-urea iodide CAS Name: 1-[4-[2-(1-adamantyl)ethyl]-1-methyl-2-propyl-3-pyridin-1-iumyl]-3-pentylurea iodide IUPAC Name: 1-[4-[2-(1-adamantyl)ethyl]-1-methyl-2-propylpyridin-1-ium-3-yl]-3-pentylurea iodide Traditional Name: 1-[4-[2-(1-adamantyl)ethyl]-1-methyl-2-propyl-pyridin-1-ium-3-yl]-3-amyl-urea iodide Formula: C27H44IN3O MolecularWeight: 553.56223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C=C[N+](=C1CCC)C)CCC23CC4CC(C2)CC(C4)C3.[I-]

Isomeric SMILES

CCCCCNC(=O)NC1=C(C=C[N+](=C1CCC)C)CCC23CC4CC(C2)CC(C4)C3.[I-]

InChI

InChI=1S/C27H43N3O.HI/c1-4-6-7-12-28-26(31)29-25-23(10-13-30(3)24(25)8-5-2)9-11-27-17-20-14-21(18-27)16-22(15-20)19-27;/h10,13,20-22H,4-9,11-12,14-19H2,1-3H3,(H-,28,29,31);1H