1-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]isatin Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CN2C3=CC=CC=C3C(=O)C2=O)C

Isomeric SMILES

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

InChI

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