ethyl 3-[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbethoxypiperidin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C21H27FN3O5+ MolecularWeight: 420.454583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C21H26FN3O5/c1-3-29-20(27)13-7-9-25(10-8-13)12-17(26)24-18-15-11-14(22)5-6-16(15)23-19(18)21(28)30-4-2/h5-6,11,13,23H,3-4,7-10,12H2,1-2H3,(H,24,26)/p+1