1-[(1S)-2-oxidanidyl-1-[6-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]-1H-indol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1S)-2-oxidanidyl-1-[6-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]-1H-indol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-2-oxido-1-[6-[(4-oxido-4-oxo-butanoyl)amino]-1H-indol-3-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-2-oxido-1-[6-[(4-oxido-1,4-dioxobutyl)amino]-1H-indol-3-yl]-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1S)-2-oxido-1-[6-[(4-oxido-4-oxobutanoyl)amino]-1H-indol-3-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-1-[6-[(4-keto-4-oxido-butanoyl)amino]-1H-indol-3-yl]-2-oxido-ethyl]piperidin-1-ium-4-carboxylate Formula: C20H21N3O7-2 MolecularWeight: 415.39664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@@H](C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H23N3O7/c24-16(3-4-17(25)26)22-12-1-2-13-14(10-21-15(13)9-12)18(20(29)30)23-7-5-11(6-8-23)19(27)28/h1-2,9-11,18,21H,3-8H2,(H,22,24)(H,25,26)(H,27,28)(H,29,30)/p-2/t18-/m0/s1