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

Systemtic Name: (3S)-1-(azepan-1-ium-1-ylmethyl)-3-oxidanyl-3-(2-oxidanylidene-2-pyridin-2-yl-ethyl)indol-2-one Openeye Name: (3S)-1-(azepan-1-ium-1-ylmethyl)-3-hydroxy-3-[2-oxo-2-(2-pyridyl)ethyl]indolin-2-one CAS Name: (3S)-1-(1-azepan-1-iumylmethyl)-3-hydroxy-3-[2-oxo-2-(2-pyridinyl)ethyl]-2-indolone IUPAC Name: (3S)-1-(azepan-1-ium-1-ylmethyl)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one Traditional Name: (3S)-1-(azepan-1-ium-1-ylmethyl)-3-hydroxy-3-[2-keto-2-(2-pyridyl)ethyl]oxindole Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=CC=N4)O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=CC=CC=C3[C@](C2=O)(CC(=O)C4=CC=CC=N4)O

InChI

InChI=1S/C22H25N3O3/c26-20(18-10-5-6-12-23-18)15-22(28)17-9-3-4-11-19(17)25(21(22)27)16-24-13-7-1-2-8-14-24/h3-6,9-12,28H,1-2,7-8,13-16H2/p+1/t22-/m0/s1