3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoylamino]propyl-dimethyl-octyl-azanium

Systemtic Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoylamino]propyl-dimethyl-octyl-azanium Openeye Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoylamino]propyl-dimethyl-octyl-ammonium CAS Name: 3-[[3-[3-(2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]-1-oxopropyl]amino]propyl-dimethyl-octylammonium IUPAC Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoylamino]propyl-dimethyl-octylazanium Traditional Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoylamino]propyl-dimethyl-octyl-ammonium Formula: C32H50N5O2+ MolecularWeight: 536.7717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H49N5O2/c1-7-8-9-10-11-14-21-37(5,6)22-15-20-33-30(38)19-18-25-23-26(32(2,3)4)31(39)29(24-25)36-34-27-16-12-13-17-28(27)35-36/h12-13,16-17,23-24H,7-11,14-15,18-22H2,1-6H3,(H-,33,38,39)/p+1