1,3-dimethyl-1-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)indazol-1-ium-5-carboxylic acid

Systemtic Name: 1,3-dimethyl-1-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)indazol-1-ium-5-carboxylic acid Openeye Name: 1-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-1,3-dimethyl-indazol-1-ium-5-carboxylic acid CAS Name: 1,3-dimethyl-1-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-5-indazol-1-iumcarboxylic acid IUPAC Name: 1,3-dimethyl-1-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indazol-1-ium-5-carboxylic acid Traditional Name: 1-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-1,3-dimethyl-indazol-1-ium-5-carboxylic acid Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](C2=C1C=C(C=C2)C(=O)O)(C)C3=NC(C(=O)N3)(C)C(C)C

Isomeric SMILES

CC1=N[N+](C2=C1C=C(C=C2)C(=O)O)(C)C3=NC(C(=O)N3)(C)C(C)C

InChI

InChI=1S/C17H20N4O3/c1-9(2)17(4)15(24)18-16(19-17)21(5)13-7-6-11(14(22)23)8-12(13)10(3)20-21/h6-9H,1-5H3,(H-,18,19,22,23,24)/p+1