5-azoniaspiro[4.5]decan-3-yl 2-(4-chlorophenyl)-2-oxidanyl-propanoate bromide

Systemtic Name: 5-azoniaspiro[4.5]decan-3-yl 2-(4-chlorophenyl)-2-oxidanyl-propanoate bromide Openeye Name: 5-azoniaspiro[4.5]decan-3-yl 2-(4-chlorophenyl)-2-hydroxy-propanoate bromide CAS Name: 2-(4-chlorophenyl)-2-hydroxypropanoic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide IUPAC Name: 5-azoniaspiro[4.5]decan-3-yl 2-(4-chlorophenyl)-2-hydroxypropanoate bromide Traditional Name: 2-(4-chlorophenyl)-2-hydroxy-propionic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide Formula: C18H25BrClNO3 MolecularWeight: 418.753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClNO3.BrH/c1-18(22,14-5-7-15(19)8-6-14)17(21)23-16-9-12-20(13-16)10-3-2-4-11-20;/h5-8,16,22H,2-4,9-13H2,1H3;1H/q+1;/p-1