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

Systemtic Name: ethyl 1-[[4-bromanyl-5-methyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-bromo-5-methyl-2,3-dioxo-indolin-1-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-bromo-5-methyl-2,3-dioxo-1-indolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromo-5-methyl-2,3-dioxoindol-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-bromo-2,3-diketo-5-methyl-indolin-1-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H22BrN2O4+ MolecularWeight: 410.28228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O4/c1-3-25-18(24)12-6-8-20(9-7-12)10-21-13-5-4-11(2)15(19)14(13)16(22)17(21)23/h4-5,12H,3,6-10H2,1-2H3/p+1