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

Systemtic Name: 4-[[3-[(1S)-1-(4-methanoylpiperazin-1-ium-1-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(1S)-1-(4-formylpiperazin-1-ium-1-yl)-2-oxido-2-oxo-ethyl]-1H-indol-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(1S)-1-(4-formyl-1-piperazin-1-iumyl)-2-oxido-2-oxoethyl]-1H-indol-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(1S)-1-(4-formylpiperazin-1-ium-1-yl)-2-oxido-2-oxoethyl]-1H-indol-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-[(1S)-1-(4-formylpiperazin-1-ium-1-yl)-2-keto-2-oxido-ethyl]-1H-indol-6-yl]amino]-4-keto-butyrate Formula: C19H21N4O6- MolecularWeight: 401.39324

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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-])C=O

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O6/c24-11-22-5-7-23(8-6-22)18(19(28)29)14-10-20-15-9-12(1-2-13(14)15)21-16(25)3-4-17(26)27/h1-2,9-11,18,20H,3-8H2,(H,21,25)(H,26,27)(H,28,29)/p-1/t18-/m0/s1