1-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]isatin Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2/c1-11-6-5-7-12(2)17(11)10-18-14-9-4-3-8-13(14)15(19)16(18)20/h3-4,8-9,11-12H,5-7,10H2,1-2H3/p+1/t11-,12-/m0/s1