(E)-4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-piperidin-1-ium-1-yl-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-piperidin-1-ium-1-yl-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[3-[(1S)-2-oxido-2-oxo-1-piperidin-1-ium-1-yl-ethyl]-1H-indol-5-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[3-[(1S)-2-oxido-2-oxo-1-(1-piperidin-1-iumyl)ethyl]-1H-indol-5-yl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[3-[(1S)-2-oxido-2-oxo-1-piperidin-1-ium-1-ylethyl]-1H-indol-5-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[3-[(1S)-2-keto-2-oxido-1-piperidin-1-ium-1-yl-ethyl]-1H-indol-5-yl]amino]but-2-enoate Formula: C19H20N3O5- MolecularWeight: 370.3792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)NC(=O)/C=C/C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H21N3O5/c23-16(6-7-17(24)25)21-12-4-5-15-13(10-12)14(11-20-15)18(19(26)27)22-8-2-1-3-9-22/h4-7,10-11,18,20H,1-3,8-9H2,(H,21,23)(H,24,25)(H,26,27)/p-1/b7-6+/t18-/m0/s1