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

Systemtic Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoylamino]propyl-butyl-diethyl-azanium Openeye Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoylamino]propyl-butyl-diethyl-ammonium CAS Name: 3-[[3-[3-(2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]-1-oxopropyl]amino]propyl-butyl-diethylammonium IUPAC Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoylamino]propyl-butyl-diethylazanium Traditional Name: 3-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoylamino]propyl-butyl-diethyl-ammonium Formula: C30H46N5O2+ MolecularWeight: 508.71854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45N5O2/c1-7-10-19-35(8-2,9-3)20-13-18-31-28(36)17-16-23-21-24(30(4,5)6)29(37)27(22-23)34-32-25-14-11-12-15-26(25)33-34/h11-12,14-15,21-22H,7-10,13,16-20H2,1-6H3,(H-,31,36,37)/p+1