2-[3-[3-(benzotriazol-2-yl)-4-oxidanyl-phenyl]propanoylamino]ethyl-trimethyl-azanium

Systemtic Name: 2-[3-[3-(benzotriazol-2-yl)-4-oxidanyl-phenyl]propanoylamino]ethyl-trimethyl-azanium Openeye Name: 2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-phenyl]propanoylamino]ethyl-trimethyl-ammonium CAS Name: 2-[[3-[3-(2-benzotriazolyl)-4-hydroxyphenyl]-1-oxopropyl]amino]ethyl-trimethylammonium IUPAC Name: 2-[3-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]propanoylamino]ethyl-trimethylazanium Traditional Name: 2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-phenyl]propanoylamino]ethyl-trimethyl-ammonium Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCNC(=O)CCC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2

Isomeric SMILES

C[N+](C)(C)CCNC(=O)CCC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C20H25N5O2/c1-25(2,3)13-12-21-20(27)11-9-15-8-10-19(26)18(14-15)24-22-16-6-4-5-7-17(16)23-24/h4-8,10,14H,9,11-13H2,1-3H3,(H-,21,26,27)/p+1