2-methylpropyl 4-(dimethylamino)pyridin-1-ium-1-carboxylate chloride

Systemtic Name: 2-methylpropyl 4-(dimethylamino)pyridin-1-ium-1-carboxylate chloride Openeye Name: isobutyl 4-(dimethylamino)pyridin-1-ium-1-carboxylate chloride CAS Name: 4-(dimethylamino)-1-pyridin-1-iumcarboxylic acid 2-methylpropyl ester chloride IUPAC Name: 2-methylpropyl 4-(dimethylamino)pyridin-1-ium-1-carboxylate chloride Traditional Name: 4-(dimethylamino)pyridin-1-ium-1-carboxylic acid isobutyl ester chloride Formula: C12H19ClN2O2 MolecularWeight: 258.74446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N2O2.ClH/c1-10(2)9-16-12(15)14-7-5-11(6-8-14)13(3)4;/h5-8,10H,9H2,1-4H3;1H/q+1;/p-1