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

Systemtic Name: 5-methyl-1-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-methyl-isatin Formula: C15H19N2O3+ MolecularWeight: 275.32296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCCC(C3)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C15H18N2O3/c1-10-4-5-13-12(7-10)14(19)15(20)17(13)9-16-6-2-3-11(18)8-16/h4-5,7,11,18H,2-3,6,8-9H2,1H3/p+1/t11-/m1/s1