N,1-dimethyl-N-(1-phenylpropan-2-yl)pyridin-1-ium-3-carboxamide iodide

Systemtic Name: N,1-dimethyl-N-(1-phenylpropan-2-yl)pyridin-1-ium-3-carboxamide iodide Openeye Name: N,1-dimethyl-N-(1-methyl-2-phenyl-ethyl)pyridin-1-ium-3-carboxamide iodide CAS Name: N,1-dimethyl-N-(1-phenylpropan-2-yl)-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N,1-dimethyl-N-(1-phenylpropan-2-yl)pyridin-1-ium-3-carboxamide iodide Traditional Name: N,1-dimethyl-N-(1-methyl-2-phenyl-ethyl)pyridin-1-ium-3-carboxamide iodide Formula: C17H21IN2O MolecularWeight: 396.26591

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N(C)C(=O)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CC(CC1=CC=CC=C1)N(C)C(=O)C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C17H21N2O.HI/c1-14(12-15-8-5-4-6-9-15)19(3)17(20)16-10-7-11-18(2)13-16;/h4-11,13-14H,12H2,1-3H3;1H/q+1;/p-1