2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; propan-2-ylazanium

Systemtic Name: 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; propan-2-ylazanium Openeye Name: isopropylammonium; 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)quinoline-3-carboxylic acid CAS Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-quinolinecarboxylic acid; propan-2-ylammonium IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; propan-2-ylazanium Traditional Name: isopropylammonium; 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)quinoline-3-carboxylic acid Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C.CC(C)[NH3+]

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C.CC(C)[NH3+]

InChI

InChI=1S/C17H17N3O3.C3H9N/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13;1-3(2)4/h4-9H,1-3H3,(H,21,22)(H,19,20,23);3H,4H2,1-2H3/p+1