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

Systemtic Name: (3S)-3-oxidanyl-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: (3S)-3-hydroxy-3-[2-oxo-2-(2-thienyl)ethyl]-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: (3S)-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: (3S)-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: (3S)-3-hydroxy-3-[2-keto-2-(2-thienyl)ethyl]-1-(piperidin-1-ium-1-ylmethyl)oxindole Formula: C20H23N2O3S+ MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=CS4)O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3[C@](C2=O)(CC(=O)C4=CC=CS4)O

InChI

InChI=1S/C20H22N2O3S/c23-17(18-9-6-12-26-18)13-20(25)15-7-2-3-8-16(15)22(19(20)24)14-21-10-4-1-5-11-21/h2-3,6-9,12,25H,1,4-5,10-11,13-14H2/p+1/t20-/m0/s1