4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(1S)-2-oxido-2-oxo-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1H-indol-5-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(1S)-2-oxido-2-oxo-1-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1H-indol-5-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(1S)-2-oxido-2-oxo-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1H-indol-5-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-[(1S)-2-keto-2-oxido-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1H-indol-5-yl]amino]butyrate Formula: C24H25N4O5- MolecularWeight: 449.4791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O5/c29-21(8-9-22(30)31)26-16-6-7-20-18(14-16)19(15-25-20)23(24(32)33)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-7,14-15,23,25H,8-13H2,(H,26,29)(H,30,31)(H,32,33)/p-1/t23-/m0/s1