(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-quinolin-1-ium-1-ylethanoate bromide

Systemtic Name: (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-quinolin-1-ium-1-ylethanoate bromide Openeye Name: (1,7,7-trimethylnorbornan-2-yl) 2-quinolin-1-ium-1-ylacetate bromide CAS Name: 2-(1-quinolin-1-iumyl)acetic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester bromide IUPAC Name: (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-quinolin-1-ium-1-ylacetate bromide Traditional Name: 2-quinolin-1-ium-1-ylacetic acid 2-bornyl ester bromide Formula: C21H26BrNO2 MolecularWeight: 404.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2)OC(=O)C[N+]3=CC=CC4=CC=CC=C43)C)C.[Br-]

Isomeric SMILES

CC1(C2CCC1(C(C2)OC(=O)C[N+]3=CC=CC4=CC=CC=C43)C)C.[Br-]

InChI

InChI=1S/C21H26NO2.BrH/c1-20(2)16-10-11-21(20,3)18(13-16)24-19(23)14-22-12-6-8-15-7-4-5-9-17(15)22;/h4-9,12,16,18H,10-11,13-14H2,1-3H3;1H/q+1;/p-1