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

Systemtic Name: ethyl 1-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-bromo-2,3-dioxo-indolin-1-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-bromo-2,3-dioxo-1-indolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-bromo-2,3-diketo-indolin-1-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H20BrN2O4+ MolecularWeight: 396.2557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

InChI

InChI=1S/C17H19BrN2O4/c1-2-24-17(23)11-5-7-19(8-6-11)10-20-14-4-3-12(18)9-13(14)15(21)16(20)22/h3-4,9,11H,2,5-8,10H2,1H3/p+1