2-[3-(2H-benzotriazol-1-ium-1-yl)-2-oxidanyl-propoxy]-N-phenyl-benzamide chloride

Systemtic Name: 2-[3-(2H-benzotriazol-1-ium-1-yl)-2-oxidanyl-propoxy]-N-phenyl-benzamide chloride Openeye Name: 2-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide chloride CAS Name: 2-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide chloride IUPAC Name: 2-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide chloride Traditional Name: 2-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide chloride Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(C[N+]3=C4C=CC=CC4=NN3)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(C[N+]3=C4C=CC=CC4=NN3)O.[Cl-]

InChI

InChI=1S/C22H20N4O3.ClH/c27-17(14-26-20-12-6-5-11-19(20)24-25-26)15-29-21-13-7-4-10-18(21)22(28)23-16-8-2-1-3-9-16;/h1-13,17,27H,14-15H2,(H,23,28);1H