1-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2/c1-2-12-7-5-6-10-17(12)11-18-14-9-4-3-8-13(14)15(19)16(18)20/h3-4,8-9,12H,2,5-7,10-11H2,1H3/p+1/t12-/m1/s1