4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(1S)-2-oxido-2-oxo-1-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethyl]-1H-indol-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(1S)-2-oxido-2-oxo-1-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]-1H-indol-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(1S)-2-oxido-2-oxo-1-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]-1H-indol-6-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-[(1S)-2-keto-2-oxido-1-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethyl]-1H-indol-6-yl]amino]butyrate Formula: C23H24N5O5- MolecularWeight: 450.46716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)[O-])C(=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)[O-])C(=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C23H25N5O5/c29-20(6-7-21(30)31)26-15-4-5-16-17(14-25-18(16)13-15)22(23(32)33)28-11-9-27(10-12-28)19-3-1-2-8-24-19/h1-5,8,13-14,22,25H,6-7,9-12H2,(H,26,29)(H,30,31)(H,32,33)/p-1/t22-/m0/s1