ethyl 2-[3-(pyrrolidin-1-ium-1-ylidenemethyl)indol-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-(pyrrolidin-1-ium-1-ylidenemethyl)indol-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-(pyrrolidin-1-ium-1-ylidenemethyl)indol-1-yl]acetate bromide CAS Name: 2-[3-(1-pyrrolidin-1-iumylidenemethyl)-1-indolyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-(pyrrolidin-1-ium-1-ylidenemethyl)indol-1-yl]acetate bromide Traditional Name: 2-[3-(pyrrolidin-1-ium-1-ylidenemethyl)indol-1-yl]acetic acid ethyl ester bromide Formula: C17H21BrN2O2 MolecularWeight: 365.26484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C2=CC=CC=C21)C=[N+]3CCCC3.[Br-]

Isomeric SMILES

CCOC(=O)CN1C=C(C2=CC=CC=C21)C=[N+]3CCCC3.[Br-]

InChI

InChI=1S/C17H21N2O2.BrH/c1-2-21-17(20)13-19-12-14(11-18-9-5-6-10-18)15-7-3-4-8-16(15)19;/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3;1H/q+1;/p-1