1-(phenylcarbamoyloxy)propyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate iodide

Systemtic Name: 1-(phenylcarbamoyloxy)propyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate iodide Openeye Name: 1-(phenylcarbamoyloxy)propyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate iodide CAS Name: 1-(aminomethyl)-2-pyridin-1-iumcarboxylic acid 1-[anilino(oxo)methoxy]propyl ester iodide IUPAC Name: 1-(phenylcarbamoyloxy)propyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate iodide Traditional Name: 1-(aminomethyl)pyridin-1-ium-2-carboxylic acid 1-(phenylcarbamoyloxy)propyl ester iodide Formula: C17H20IN3O4 MolecularWeight: 457.26287

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)C1=CC=CC=[N+]1CN)OC(=O)NC2=CC=CC=C2.[I-]

Isomeric SMILES

CCC(OC(=O)C1=CC=CC=[N+]1CN)OC(=O)NC2=CC=CC=C2.[I-]

InChI

InChI=1S/C17H19N3O4.HI/c1-2-15(24-17(22)19-13-8-4-3-5-9-13)23-16(21)14-10-6-7-11-20(14)12-18;/h3-11,15H,2,12,18H2,1H3;1H