(3S)-3-oxidanyl-3-(2-oxidanylidene-2-pyridin-2-yl-ethyl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

Systemtic Name: (3S)-3-oxidanyl-3-(2-oxidanylidene-2-pyridin-2-yl-ethyl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: (3S)-3-hydroxy-3-[2-oxo-2-(2-pyridyl)ethyl]-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: (3S)-3-hydroxy-3-[2-oxo-2-(2-pyridinyl)ethyl]-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: (3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: (3S)-3-hydroxy-3-[2-keto-2-(2-pyridyl)ethyl]-1-(piperidin-1-ium-1-ylmethyl)oxindole Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=CC=N4)O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3[C@](C2=O)(CC(=O)C4=CC=CC=N4)O

InChI

InChI=1S/C21H23N3O3/c25-19(17-9-4-5-11-22-17)14-21(27)16-8-2-3-10-18(16)24(20(21)26)15-23-12-6-1-7-13-23/h2-5,8-11,27H,1,6-7,12-15H2/p+1/t21-/m0/s1