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

Systemtic Name: 5-azoniaspiro[4.5]decan-3-yl 2-(3-methylphenyl)-2-oxidanyl-propanoate bromide Openeye Name: 5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-(m-tolyl)propanoate bromide CAS Name: 2-hydroxy-2-(3-methylphenyl)propanoic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide IUPAC Name: 5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-(3-methylphenyl)propanoate bromide Traditional Name: 2-hydroxy-2-(m-tolyl)propionic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide Formula: C19H28BrNO3 MolecularWeight: 398.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C)(C(=O)OC2CC[N+]3(C2)CCCCC3)O.[Br-]

Isomeric SMILES

CC1=CC(=CC=C1)C(C)(C(=O)OC2CC[N+]3(C2)CCCCC3)O.[Br-]

InChI

InChI=1S/C19H28NO3.BrH/c1-15-7-6-8-16(13-15)19(2,22)18(21)23-17-9-12-20(14-17)10-4-3-5-11-20;/h6-8,13,17,22H,3-5,9-12,14H2,1-2H3;1H/q+1;/p-1