tert-butyl N-[2-[3-(aminocarbonylamino)-1-methyl-2-propyl-pyridin-1-ium-4-yl]ethyl]-N-methyl-carbamate iodide

Systemtic Name: tert-butyl N-[2-[3-(aminocarbonylamino)-1-methyl-2-propyl-pyridin-1-ium-4-yl]ethyl]-N-methyl-carbamate iodide Openeye Name: tert-butyl N-methyl-N-[2-(1-methyl-2-propyl-3-ureido-pyridin-1-ium-4-yl)ethyl]carbamate iodide CAS Name: N-[2-[3-(carbamoylamino)-1-methyl-2-propyl-4-pyridin-1-iumyl]ethyl]-N-methylcarbamic acid tert-butyl ester iodide IUPAC Name: tert-butyl N-[2-[3-(carbamoylamino)-1-methyl-2-propylpyridin-1-ium-4-yl]ethyl]-N-methylcarbamate iodide Traditional Name: N-methyl-N-[2-(1-methyl-2-propyl-3-ureido-pyridin-1-ium-4-yl)ethyl]carbamic acid tert-butyl ester iodide Formula: C18H31IN4O3 MolecularWeight: 478.36821

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C=CC(=C1NC(=O)N)CCN(C)C(=O)OC(C)(C)C)C.[I-]

Isomeric SMILES

CCCC1=[N+](C=CC(=C1NC(=O)N)CCN(C)C(=O)OC(C)(C)C)C.[I-]

InChI

InChI=1S/C18H30N4O3.HI/c1-7-8-14-15(20-16(19)23)13(9-11-21(14)5)10-12-22(6)17(24)25-18(2,3)4;/h9,11H,7-8,10,12H2,1-6H3,(H2-,19,20,23);1H