5-azoniaspiro[4.5]decan-3-yl 2-(furan-2-yl)-2-oxidanyl-propanoate bromide

Systemtic Name: 5-azoniaspiro[4.5]decan-3-yl 2-(furan-2-yl)-2-oxidanyl-propanoate bromide Openeye Name: 5-azoniaspiro[4.5]decan-3-yl 2-(2-furyl)-2-hydroxy-propanoate bromide CAS Name: 2-(2-furanyl)-2-hydroxypropanoic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide IUPAC Name: 5-azoniaspiro[4.5]decan-3-yl 2-(furan-2-yl)-2-hydroxypropanoate bromide Traditional Name: 2-(2-furyl)-2-hydroxy-propionic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide Formula: C16H24BrNO4 MolecularWeight: 374.27006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)(C(=O)OC2CC[N+]3(C2)CCCCC3)O.[Br-]

Isomeric SMILES

CC(C1=CC=CO1)(C(=O)OC2CC[N+]3(C2)CCCCC3)O.[Br-]

InChI

InChI=1S/C16H24NO4.BrH/c1-16(19,14-6-5-11-20-14)15(18)21-13-7-10-17(12-13)8-3-2-4-9-17;/h5-6,11,13,19H,2-4,7-10,12H2,1H3;1H/q+1;/p-1