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

Systemtic Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoylamino]propyl-trimethyl-azanium Openeye Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoylamino]propyl-trimethyl-ammonium CAS Name: 3-[[3-[3-(2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]-1-oxopropyl]amino]propyl-trimethylammonium IUPAC Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoylamino]propyl-trimethylazanium Traditional Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoylamino]propyl-trimethyl-ammonium Formula: C25H36N5O2+ MolecularWeight: 438.58564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O2/c1-25(2,3)19-16-18(12-13-23(31)26-14-9-15-30(4,5)6)17-22(24(19)32)29-27-20-10-7-8-11-21(20)28-29/h7-8,10-11,16-17H,9,12-15H2,1-6H3,(H-,26,31,32)/p+1