3,3-dimethyl-1-(1-phenacyl-1,2,4-triazol-4-ium-4-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(1-phenacyl-1,2,4-triazol-4-ium-4-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-(1-phenacyl-1,2,4-triazol-4-ium-4-yl)butan-2-one CAS Name: 3,3-dimethyl-1-(1-phenacyl-1,2,4-triazol-4-ium-4-yl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(1-phenacyl-1,2,4-triazol-4-ium-4-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-(1-phenacyl-1,2,4-triazol-4-ium-4-yl)butan-2-one Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=CN(N=C1)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=CN(N=C1)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N3O2/c1-16(2,3)15(21)10-18-11-17-19(12-18)9-14(20)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3/q+1