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

Systemtic Name: 4-[[3-[(1S)-1-(4-ethylpiperazin-1-ium-1-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(1S)-1-(4-ethylpiperazin-1-ium-1-yl)-2-oxido-2-oxo-ethyl]-1H-indol-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(1S)-1-(4-ethyl-1-piperazin-1-iumyl)-2-oxido-2-oxoethyl]-1H-indol-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(1S)-1-(4-ethylpiperazin-1-ium-1-yl)-2-oxido-2-oxoethyl]-1H-indol-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-[(1S)-1-(4-ethylpiperazin-1-ium-1-yl)-2-keto-2-oxido-ethyl]-1H-indol-6-yl]amino]-4-keto-butyrate Formula: C20H25N4O5- MolecularWeight: 401.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H26N4O5/c1-2-23-7-9-24(10-8-23)19(20(28)29)15-12-21-16-11-13(3-4-14(15)16)22-17(25)5-6-18(26)27/h3-4,11-12,19,21H,2,5-10H2,1H3,(H,22,25)(H,26,27)(H,28,29)/p-1/t19-/m0/s1