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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

InChI

InChI=1S/C17H19BrN2O4/c1-2-24-17(23)11-4-3-7-19(9-11)10-20-14-6-5-12(18)8-13(14)15(21)16(20)22/h5-6,8,11H,2-4,7,9-10H2,1H3/p+1/t11-/m0/s1