(2E)-2-[1,3-dimethyl-2-(4-phenylphenyl)-1,2,4-triazolidin-4-ium-4-ylidene]-5-oxidanyl-furan-3-one

Systemtic Name: (2E)-2-[1,3-dimethyl-2-(4-phenylphenyl)-1,2,4-triazolidin-4-ium-4-ylidene]-5-oxidanyl-furan-3-one Openeye Name: (2E)-2-[1,3-dimethyl-2-(4-phenylphenyl)-1,2,4-triazolidin-4-ium-4-ylidene]-5-hydroxy-furan-3-one CAS Name: (2E)-2-[1,3-dimethyl-2-(4-phenylphenyl)-1,2,4-triazolidin-4-ium-4-ylidene]-5-hydroxy-3-furanone IUPAC Name: (2E)-2-[1,3-dimethyl-2-(4-phenylphenyl)-1,2,4-triazolidin-4-ium-4-ylidene]-5-hydroxyfuran-3-one Traditional Name: (2E)-2-[1,3-dimethyl-2-(4-phenylphenyl)-1,2,4-triazolidin-4-ium-4-ylidene]-5-hydroxy-furan-3-one Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(N(C[N+]1=C2C(=O)C=C(O2)O)C)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC\1N(N(C/[N+]1=C\2/C(=O)C=C(O2)O)C)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3/c1-14-22(20-18(24)12-19(25)26-20)13-21(2)23(14)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3/p+1/b22-20+