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

Systemtic Name: ethyl (3S)-1-[[2,3-bis(oxidanylidene)indol-1-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2,3-dioxoindolin-1-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2,3-dioxo-1-indolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2,3-dioxoindol-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2,3-diketoindolin-1-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C3=CC=CC=C3C(=O)C2=O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C3=CC=CC=C3C(=O)C2=O

InChI

InChI=1S/C17H20N2O4/c1-2-23-17(22)12-6-5-9-18(10-12)11-19-14-8-4-3-7-13(14)15(20)16(19)21/h3-4,7-8,12H,2,5-6,9-11H2,1H3/p+1/t12-/m0/s1