ethyl 4-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(5-bromo-2,3-dioxo-indolin-1-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(5-bromo-2,3-dioxo-1-indolyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(5-bromo-2,3-diketo-indolin-1-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H19BrN3O4+ MolecularWeight: 397.24376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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