1-[3-bromanyl-5-(methoxymethyl)thiophen-2-yl]-2-methanoyl-piperidin-1-ium-1-carboxylic acid

Systemtic Name: 1-[3-bromanyl-5-(methoxymethyl)thiophen-2-yl]-2-methanoyl-piperidin-1-ium-1-carboxylic acid Openeye Name: 1-[3-bromo-5-(methoxymethyl)-2-thienyl]-2-formyl-piperidin-1-ium-1-carboxylic acid CAS Name: 1-[3-bromo-5-(methoxymethyl)-2-thiophenyl]-2-formyl-1-piperidin-1-iumcarboxylic acid IUPAC Name: 1-[3-bromo-5-(methoxymethyl)thiophen-2-yl]-2-formylpiperidin-1-ium-1-carboxylic acid Traditional Name: 1-[3-bromo-5-(methoxymethyl)-2-thienyl]-2-formyl-piperidin-1-ium-1-carboxylic acid Formula: C13H17BrNO4S+ MolecularWeight: 363.24738

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=C(S1)[N+]2(CCCCC2C=O)C(=O)O)Br

Isomeric SMILES

COCC1=CC(=C(S1)[N+]2(CCCCC2C=O)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO4S/c1-19-8-10-6-11(14)12(20-10)15(13(17)18)5-3-2-4-9(15)7-16/h6-7,9H,2-5,8H2,1H3/p+1