1-[[bis(2-methylpropyl)amino]methyl]-3-(5-nitro-1,3-thiazol-2-yl)-4H-imidazol-3-ium-5-one

Systemtic Name: 1-[[bis(2-methylpropyl)amino]methyl]-3-(5-nitro-1,3-thiazol-2-yl)-4H-imidazol-3-ium-5-one Openeye Name: 1-[(diisobutylamino)methyl]-3-(5-nitrothiazol-2-yl)-4H-imidazol-3-ium-5-one CAS Name: 1-[[bis(2-methylpropyl)amino]methyl]-3-(5-nitro-2-thiazolyl)-4H-imidazol-3-ium-5-one IUPAC Name: 1-[[bis(2-methylpropyl)amino]methyl]-3-(5-nitro-1,3-thiazol-2-yl)-4H-imidazol-3-ium-5-one Traditional Name: 3-[(diisobutylamino)methyl]-1-(5-nitrothiazol-2-yl)-2-imidazolin-1-ium-4-one Formula: C15H24N5O3S+ MolecularWeight: 354.44776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)CN1C=[N+](CC1=O)C2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C)C)CN1C=[N+](CC1=O)C2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C15H24N5O3S/c1-11(2)6-17(7-12(3)4)9-19-10-18(8-13(19)21)15-16-5-14(24-15)20(22)23/h5,10-12H,6-9H2,1-4H3/q+1