5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2-phenyl-propanoate bromide

Systemtic Name: 5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2-phenyl-propanoate bromide Openeye Name: 5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-phenyl-propanoate bromide CAS Name: 2-hydroxy-2-phenylpropanoic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide IUPAC Name: 5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-phenylpropanoate bromide Traditional Name: 2-hydroxy-2-phenyl-propionic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide Formula: C18H26BrNO3 MolecularWeight: 384.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26NO3.BrH/c1-18(21,15-8-4-2-5-9-15)17(20)22-16-10-13-19(14-16)11-6-3-7-12-19;/h2,4-5,8-9,16,21H,3,6-7,10-14H2,1H3;1H/q+1;/p-1