(3S)-3-[2-(2-hydroxyphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

Systemtic Name: (3S)-3-[2-(2-hydroxyphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: (3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxo-ethyl]-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: (3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: (3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: (3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-keto-ethyl]-1-(piperidin-1-ium-1-ylmethyl)oxindole Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=CC=C4O)O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3[C@](C2=O)(CC(=O)C4=CC=CC=C4O)O

InChI

InChI=1S/C22H24N2O4/c25-19-11-5-2-8-16(19)20(26)14-22(28)17-9-3-4-10-18(17)24(21(22)27)15-23-12-6-1-7-13-23/h2-5,8-11,25,28H,1,6-7,12-15H2/p+1/t22-/m0/s1