1-[(2R)-1-(2-methylpropyl)aziridin-1-ium-2-yl]benzotriazole

Systemtic Name: 1-[(2R)-1-(2-methylpropyl)aziridin-1-ium-2-yl]benzotriazole Openeye Name: 1-[(2R)-1-isobutylaziridin-1-ium-2-yl]benzotriazole CAS Name: 1-[(2R)-1-(2-methylpropyl)-2-aziridin-1-iumyl]benzotriazole IUPAC Name: 1-[(2R)-1-(2-methylpropyl)aziridin-1-ium-2-yl]benzotriazole Traditional Name: 1-[(2R)-1-isobutylethylenimin-1-ium-2-yl]benzotriazole Formula: C12H17N4+ MolecularWeight: 217.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CC1N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)C[NH+]1C[C@H]1N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H16N4/c1-9(2)7-15-8-12(15)16-11-6-4-3-5-10(11)13-14-16/h3-6,9,12H,7-8H2,1-2H3/p+1/t12-,15?/m1/s1