N,N,1-triethylpyridin-1-ium-4-carboxamide iodide

Systemtic Name: N,N,1-triethylpyridin-1-ium-4-carboxamide iodide Openeye Name: N,N,1-triethylpyridin-1-ium-4-carboxamide iodide CAS Name: N,N,1-triethyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N,N,1-triethylpyridin-1-ium-4-carboxamide iodide Traditional Name: N,N,1-triethylpyridin-1-ium-4-carboxamide iodide Formula: C12H19IN2O MolecularWeight: 334.19653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C(=O)N(CC)CC.[I-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)C(=O)N(CC)CC.[I-]

InChI

InChI=1S/C12H19N2O.HI/c1-4-13-9-7-11(8-10-13)12(15)14(5-2)6-3;/h7-10H,4-6H2,1-3H3;1H/q+1;/p-1