1-(2H-benzotriazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol

Systemtic Name: 1-(2H-benzotriazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Openeye Name: 1-(2H-benzotriazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol CAS Name: 1-(2H-benzotriazol-1-ium-1-yl)-3-(2-methylphenoxy)-2-propanol IUPAC Name: 1-(2H-benzotriazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Traditional Name: 1-(2H-benzotriazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[N+]2=C3C=CC=CC3=NN2)O

Isomeric SMILES

CC1=CC=CC=C1OCC(C[N+]2=C3C=CC=CC3=NN2)O

InChI

InChI=1S/C16H17N3O2/c1-12-6-2-5-9-16(12)21-11-13(20)10-19-15-8-4-3-7-14(15)17-18-19/h2-9,13,20H,10-11H2,1H3/p+1