ethyl 1-[(4-bromanylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-bromanylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-bromo-2-thienyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-bromo-2-thiophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromothiophen-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-bromo-2-thienyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C13H19BrNO2S+ MolecularWeight: 333.26446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CS2)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CS2)Br

InChI

InChI=1S/C13H18BrNO2S/c1-2-17-13(16)10-3-5-15(6-4-10)8-12-7-11(14)9-18-12/h7,9-10H,2-6,8H2,1H3/p+1