methyl 2-(aminomethyl)-1-ethyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: methyl 2-(aminomethyl)-1-ethyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: methyl 2-(aminomethyl)-1-ethyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 2-(aminomethyl)-1-ethyl-3-pyridin-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 2-(aminomethyl)-1-ethylpyridin-1-ium-3-carboxylate iodide Traditional Name: 2-(aminomethyl)-1-ethyl-pyridin-1-ium-3-carboxylic acid methyl ester iodide Formula: C10H15IN2O2 MolecularWeight: 322.14277

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1CN)C(=O)OC.[I-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1CN)C(=O)OC.[I-]

InChI

InChI=1S/C10H15N2O2.HI/c1-3-12-6-4-5-8(9(12)7-11)10(13)14-2;/h4-6H,3,7,11H2,1-2H3;1H/q+1;/p-1