ethyl 4-[[4-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[4-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-bromo-2,3-dioxo-indolin-1-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-bromo-2,3-dioxo-1-indolyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-2,3-dioxoindol-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(4-bromo-2,3-diketo-indolin-1-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H19BrN3O4+ MolecularWeight: 397.24376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2C3=C(C(=CC=C3)Br)C(=O)C2=O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C3=C(C(=CC=C3)Br)C(=O)C2=O

InChI

InChI=1S/C16H18BrN3O4/c1-2-24-16(23)19-8-6-18(7-9-19)10-20-12-5-3-4-11(17)13(12)14(21)15(20)22/h3-5H,2,6-10H2,1H3/p+1