ethyl 5-(bromomethyl)-3-ethanoyl-1,1-dipropyl-pyrrolidin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-(bromomethyl)-3-ethanoyl-1,1-dipropyl-pyrrolidin-1-ium-3-carboxylate Openeye Name: ethyl 3-acetyl-5-(bromomethyl)-1,1-dipropyl-pyrrolidin-1-ium-3-carboxylate CAS Name: 3-acetyl-5-(bromomethyl)-1,1-dipropyl-3-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-5-(bromomethyl)-1,1-dipropylpyrrolidin-1-ium-3-carboxylate Traditional Name: 3-acetyl-5-(bromomethyl)-1,1-dipropyl-pyrrolidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H29BrNO3+ MolecularWeight: 363.31036

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC(CC1CBr)(C(=O)C)C(=O)OCC)CCC

Isomeric SMILES

CCC[N+]1(CC(CC1CBr)(C(=O)C)C(=O)OCC)CCC

InChI

InChI=1S/C16H29BrNO3/c1-5-8-18(9-6-2)12-16(13(4)19,10-14(18)11-17)15(20)21-7-3/h14H,5-12H2,1-4H3/q+1