1-methyl-3,5-diphenethyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: 1-methyl-3,5-diphenethyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: 1-methyl-3,5-diphenethyl-pyridin-1-ium-2-carboxamide iodide CAS Name: 1-methyl-3,5-diphenethyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-methyl-3,5-diphenethylpyridin-1-ium-2-carboxamide iodide Traditional Name: 1-methyl-3,5-diphenethyl-pyridin-1-ium-2-carboxamide iodide Formula: C23H25IN2O MolecularWeight: 472.36187

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC(=C1C(=O)N)CCC2=CC=CC=C2)CCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC(=CC(=C1C(=O)N)CCC2=CC=CC=C2)CCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H24N2O.HI/c1-25-17-20(13-12-18-8-4-2-5-9-18)16-21(22(25)23(24)26)15-14-19-10-6-3-7-11-19;/h2-11,16-17H,12-15H2,1H3,(H-,24,26);1H