2-[[3-(benzotriazol-2-yl)-4-oxidanyl-phenyl]-propanoyl-amino]ethyl-trimethyl-azanium chloride

Systemtic Name: 2-[[3-(benzotriazol-2-yl)-4-oxidanyl-phenyl]-propanoyl-amino]ethyl-trimethyl-azanium chloride Openeye Name: 2-[3-(benzotriazol-2-yl)-4-hydroxy-N-propanoyl-anilino]ethyl-trimethyl-ammonium chloride CAS Name: 2-[3-(2-benzotriazolyl)-4-hydroxy-N-(1-oxopropyl)anilino]ethyl-trimethylammonium chloride IUPAC Name: 2-[3-(benzotriazol-2-yl)-4-hydroxy-N-propanoylanilino]ethyl-trimethylazanium chloride Traditional Name: 2-[3-(benzotriazol-2-yl)-4-hydroxy-N-propionyl-anilino]ethyl-trimethyl-ammonium chloride Formula: C20H26ClN5O2 MolecularWeight: 403.90574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC[N+](C)(C)C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2.[Cl-]

Isomeric SMILES

CCC(=O)N(CC[N+](C)(C)C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2.[Cl-]

InChI

InChI=1S/C20H25N5O2.ClH/c1-5-20(27)23(12-13-25(2,3)4)15-10-11-19(26)18(14-15)24-21-16-8-6-7-9-17(16)22-24;/h6-11,14H,5,12-13H2,1-4H3;1H