5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2-(1H-pyrrol-3-yl)propanoate bromide

Systemtic Name: 5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2-(1H-pyrrol-3-yl)propanoate bromide Openeye Name: 5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-(1H-pyrrol-3-yl)propanoate bromide CAS Name: 2-hydroxy-2-(1H-pyrrol-3-yl)propanoic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide IUPAC Name: 5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-(1H-pyrrol-3-yl)propanoate bromide Traditional Name: 2-hydroxy-2-(1H-pyrrol-3-yl)propionic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide Formula: C16H25BrN2O3 MolecularWeight: 373.2853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N2O3.BrH/c1-16(20,13-5-7-17-11-13)15(19)21-14-6-10-18(12-14)8-3-2-4-9-18;/h5,7,11,14,17,20H,2-4,6,8-10,12H2,1H3;1H/q+1;/p-1