1-[(1S)-1-pyridin-1-ium-1-ylethyl]benzotriazole

Systemtic Name: 1-[(1S)-1-pyridin-1-ium-1-ylethyl]benzotriazole Openeye Name: 1-[(1S)-1-pyridin-1-ium-1-ylethyl]benzotriazole CAS Name: 1-[(1S)-1-(1-pyridin-1-iumyl)ethyl]benzotriazole IUPAC Name: 1-[(1S)-1-pyridin-1-ium-1-ylethyl]benzotriazole Traditional Name: 1-[(1S)-1-pyridin-1-ium-1-ylethyl]benzotriazole Formula: C13H13N4+ MolecularWeight: 225.26912

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=CC=CC=C2N=N1)[N+]3=CC=CC=C3

Isomeric SMILES

C[C@H](N1C2=CC=CC=C2N=N1)[N+]3=CC=CC=C3

InChI

InChI=1S/C13H13N4/c1-11(16-9-5-2-6-10-16)17-13-8-4-3-7-12(13)14-15-17/h2-11H,1H3/q+1/t11-/m0/s1