1-[(2R,3S)-3-phenylaziridin-1-ium-2-yl]benzotriazole

Systemtic Name: 1-[(2R,3S)-3-phenylaziridin-1-ium-2-yl]benzotriazole Openeye Name: 1-[(2R,3S)-3-phenylaziridin-1-ium-2-yl]benzotriazole CAS Name: 1-[(2R,3S)-3-phenyl-2-aziridin-1-iumyl]benzotriazole IUPAC Name: 1-[(2R,3S)-3-phenylaziridin-1-ium-2-yl]benzotriazole Traditional Name: 1-[(2R,3S)-3-phenylethylenimin-1-ium-2-yl]benzotriazole Formula: C14H13N4+ MolecularWeight: 237.27982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C([NH2+]2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@H]([NH2+]2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C14H12N4/c1-2-6-10(7-3-1)13-14(15-13)18-12-9-5-4-8-11(12)16-17-18/h1-9,13-15H/p+1/t13-,14+/m0/s1