ethyl 2-[1-(2-bromoethyl)-1-methyl-piperidin-1-ium-4-ylidene]ethanoate bromide

Systemtic Name: ethyl 2-[1-(2-bromoethyl)-1-methyl-piperidin-1-ium-4-ylidene]ethanoate bromide Openeye Name: ethyl 2-[1-(2-bromoethyl)-1-methyl-piperidin-1-ium-4-ylidene]acetate bromide CAS Name: 2-[1-(2-bromoethyl)-1-methyl-4-piperidin-1-iumylidene]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[1-(2-bromoethyl)-1-methylpiperidin-1-ium-4-ylidene]acetate bromide Traditional Name: 2-[1-(2-bromoethyl)-1-methyl-piperidin-1-ium-4-ylidene]acetic acid ethyl ester bromide Formula: C12H21Br2NO2 MolecularWeight: 371.10864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CC[N+](CC1)(C)CCBr.[Br-]

Isomeric SMILES

CCOC(=O)C=C1CC[N+](CC1)(C)CCBr.[Br-]

InChI

InChI=1S/C12H21BrNO2.BrH/c1-3-16-12(15)10-11-4-7-14(2,8-5-11)9-6-13;/h10H,3-9H2,1-2H3;1H/q+1;/p-1