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

Systemtic Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoylamino]propyl-diethyl-octyl-azanium Openeye Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoylamino]propyl-diethyl-octyl-ammonium CAS Name: 3-[[3-[3-(2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]-1-oxopropyl]amino]propyl-diethyl-octylammonium IUPAC Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoylamino]propyl-diethyl-octylazanium Traditional Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoylamino]propyl-diethyl-octyl-ammonium Formula: C34H54N5O2+ MolecularWeight: 564.82486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H53N5O2/c1-7-10-11-12-13-16-23-39(8-2,9-3)24-17-22-35-32(40)21-20-27-25-28(34(4,5)6)33(41)31(26-27)38-36-29-18-14-15-19-30(29)37-38/h14-15,18-19,25-26H,7-13,16-17,20-24H2,1-6H3,(H-,35,40,41)/p+1