(E)-4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-pyrrolidin-1-ium-1-yl-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-pyrrolidin-1-ium-1-yl-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[3-[(1S)-2-oxido-2-oxo-1-pyrrolidin-1-ium-1-yl-ethyl]-1H-indol-6-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[3-[(1S)-2-oxido-2-oxo-1-(1-pyrrolidin-1-iumyl)ethyl]-1H-indol-6-yl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[3-[(1S)-2-oxido-2-oxo-1-pyrrolidin-1-ium-1-ylethyl]-1H-indol-6-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[3-[(1S)-2-keto-2-oxido-1-pyrrolidin-1-ium-1-yl-ethyl]-1H-indol-6-yl]amino]but-2-enoate Formula: C18H18N3O5- MolecularWeight: 356.35262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C2=CNC3=C2C=CC(=C3)NC(=O)/C=C/C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H19N3O5/c22-15(5-6-16(23)24)20-11-3-4-12-13(10-19-14(12)9-11)17(18(25)26)21-7-1-2-8-21/h3-6,9-10,17,19H,1-2,7-8H2,(H,20,22)(H,23,24)(H,25,26)/p-1/b6-5+/t17-/m0/s1