ethyl 5,6-dimethoxy-3-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5,6-dimethoxy-3-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5,6-dimethoxy-3-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-2-(4-oxo-1-piperidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5,6-dimethoxy-3-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-ketopiperidin-1-ium-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C20H26N3O6+ MolecularWeight: 404.43694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)C[NH+]3CCC(=O)CC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)C[NH+]3CCC(=O)CC3

InChI

InChI=1S/C20H25N3O6/c1-4-29-20(26)19-18(22-17(25)11-23-7-5-12(24)6-8-23)13-9-15(27-2)16(28-3)10-14(13)21-19/h9-10,21H,4-8,11H2,1-3H3,(H,22,25)/p+1